Geometry & MOs

Info

ID:	234752
PubChem CID:	92303435
Reduced:	ClSO3N5H14C17 (1)
Stoich.:	ABC3D5E14F17 (1)
Weight, g/mol:	245.116427
ΔH_f, kcal/mol:	8.83
Dipole, Da:	13.34
IP(EA), eV:	-8.87(-2.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)[C@@H](C(=C2C(=O)N=C3C=C(C=CC3=N2)Cl)NNC(=S)N)O)O

DOS

IR

Vibrations