Geometry & MOs

Info

ID:	328720
PubChem CID:	126726850
Reduced:	BrS2N3O3C19H24 (1)
Stoich.:	AB2C3D3E19F24 (1)
Weight, g/mol:	534.178219
ΔH_f, kcal/mol:	-65.52
Dipole, Da:	7.07
IP(EA), eV:	-8.63(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(4aR,8aR)-8a-(4-amino-1,3-thiazol-2-yl)-6,6-bis(fluoromethyl)-4,4a,5,8-tetrahydropyrano[3,4-d][1,3]thiazin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]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

CNC(=S)N[C@]1(CO[C@H](C[C@H]1CO)COCC2=CC=CC=C2)C3=NC(=CS3)Br

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

CNC(=S)N[C@]1(CO[C@H](C[C@H]1CO)COCC2=CC=CC=C2)C3=NC(=CS3)Br

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):