Geometry & MOs

Info

ID:	307883
PubChem CID:	125310451
Reduced:	ClON6C18H23 (1)
Stoich.:	ABC6D18E23 (1)
Weight, g/mol:	585.15632
ΔH_f, kcal/mol:	39.66
Dipole, Da:	7.43
IP(EA), eV:	-8.84(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[(E)-2-(2-amino-1,3-thiazol-4-yl)pent-2-enoyl]amino]-2-[(2S)-5-(carbamoyloxymethyl)-4-(2,2-dimethylpropanoyloxymethoxycarbonyl)-3,6-dihydro-2H-1,3-thiazin-2-yl]acetic acid

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

C1CCN2CCC[C@@H]([C@@H]2C1)CNC(=O)C3=C(C=C(C=C3)Cl)N4C=NN=N4

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

C1CCN2CCC[C@@H]([C@@H]2C1)CNC(=O)C3=C(C=C(C=C3)Cl)N4C=NN=N4

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):