Geometry & MOs

Info

ID:

306628

PubChem CID:

125092858

Reduced:

SN3O5C32H41 (1)

Stoich.:

AB3C5D32E41 (1)

Weight, g/mol:

741.08305

ΔHf, kcal/mol:

-174.98

Dipole, Da:

5.04

IP(EA), eV:

 -8.93(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[2-[N-(benzenesulfonyl)-3,5-dichloroanilino]acetyl]-[(4-bromophenyl)methyl]amino]-N-cyclopentyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)[C@@H](CC)N(CC1=CC=CC(=C1)C)C(=O)CN(C2=CC=CC=C2OCC)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations