Geometry & MOs

Info

ID:	60819
PubChem CID:	26702443
Reduced:	NSO5C26H27 (1)
Stoich.:	ABC5D26E27 (1)
Weight, g/mol:	498.00311
ΔH_f, kcal/mol:	-142.23
Dipole, Da:	1.56
IP(EA), eV:	-8.28(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(4-bromophenyl)sulfonylamino]-4-methylsulfanyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)butanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=CC=C(C=C2)OC(=O)CSCC3=CC(=C(C=C3C)OC)OC

DOS

IR

Vibrations