Geometry & MOs

Info

ID:

306492

PubChem CID:

125083751

Reduced:

Cl2S2N3O5C31H37 (1)

Stoich.:

A2B2C3D5E31F37 (1)

Weight, g/mol:

663.172533

ΔHf, kcal/mol:

-174.63

Dipole, Da:

3.95

IP(EA), eV:

 -8.89(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[2-[N-(benzenesulfonyl)-2-chloroanilino]acetyl]-[(2-chlorophenyl)methyl]amino]-N-cyclopentyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)[C@H](C)N(CC1=C(C=CC=C1Cl)Cl)C(=O)CN(C2=CC=C(C=C2)OCC)S(=O)(=O)C3=CC=C(C=C3)SC

DOS

IR

Vibrations