Geometry & MOs

Info

ID:	191635
PubChem CID:	78171683
Reduced:	FO3N5C11H14 (1)
Stoich.:	AB3C5D11E14 (1)
Weight, g/mol:	424.061023
ΔH_f, kcal/mol:	-105.29
Dipole, Da:	5.3
IP(EA), eV:	-9.93(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-acetylsulfanyl-3-methylbutanoyl)-(2,5-dioxopyrrolidin-1-yl)amino]-3-sulfopropanoic acid

Drug info:

PubChemData

Smile

C1C(C(C(C1O)CO)F)N2C=NC3C2=NC(=NC3=O)N

DOS

IR

Vibrations