Geometry & MOs

Info

ID:	426320
PubChem CID:	135143410
Reduced:	ClSN2O2C19H23 (1)
Stoich.:	ABC2D2E19F23 (1)
Weight, g/mol:	584.209182
ΔH_f, kcal/mol:	-13.95
Dipole, Da:	7.55
IP(EA), eV:	-8.55(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1R,4R,5S)-1-(fluoromethyl)-4-[(E,1Z)-3-fluoro-2-methyl-1-[(E)-2-(methylideneamino)-1-(2,2,2-trifluoroethoxy)ethenyl]iminopent-3-en-2-yl]-4-methyl-8,8-dioxo-8lambda6-thia-3-azabicyclo[3.2.1]oct-2-en-2-yl]carbamate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCC(=C)CN(CC1=C(C=C(C=C1)OC)OC)SC2=C(N=CC=C2)Cl

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCC(=C)CN(CC1=C(C=C(C=C1)OC)OC)SC2=C(N=CC=C2)Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):