Geometry & MOs

Info

ID:

306635

PubChem CID:

125093154

Reduced:

SN3O6C37H43 (1)

Stoich.:

AB3C6D37E43 (1)

Weight, g/mol:

631.203833

ΔHf, kcal/mol:

-166.52

Dipole, Da:

4.54

IP(EA), eV:

 -9.02(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2R)-butan-2-yl]-2-[(2,4-dichlorophenyl)methyl-[2-(2-ethyl-N-(4-methylphenyl)sulfonylanilino)acetyl]amino]butanamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)[C@H](CC1=CC=CC=C1)N(CC2=CC=CC(=C2)C)C(=O)CN(C3=CC=CC=C3OC)S(=O)(=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations