Geometry & MOs

Info

ID:	148420
PubChem CID:	53788082
Reduced:	NSO4C12H17 (1)
Stoich.:	ABC4D12E17 (1)
Weight, g/mol:	364.145678
ΔH_f, kcal/mol:	-147.19
Dipole, Da:	6.56
IP(EA), eV:	-8.52(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-butan-2-yl-4-hydroxy-2-oxo-3-(1-phenyl-3-sulfanylpropan-2-yl)imidazol-1-yl]acetic acid

Drug info:

PubChemData

Smile

CCN(CCCS(=O)(=O)O)C1=CC=C(C=C1)C=O

DOS

IR

Vibrations