Geometry & MOs

Info

ID:

306633

PubChem CID:

125093102

Reduced:

SCl2N3O4C35H37 (1)

Stoich.:

AB2C3D4E35F37 (1)

Weight, g/mol:

675.25337

ΔHf, kcal/mol:

-105.33

Dipole, Da:

4.29

IP(EA), eV:

 -9.2(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2S)-butan-2-yl]-2-[[2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(3-methoxyphenyl)methyl]amino]-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)[C@H](CC1=CC=CC=C1)N(CC2=CC(=CC=C2)Cl)C(=O)CN(C3=C(C(=CC=C3)Cl)C)S(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations