Geometry & MOs

Info

ID:

306479

PubChem CID:

125081931

Reduced:

SCl2N3O6C31H37 (1)

Stoich.:

AB2C3D6E31F37 (1)

Weight, g/mol:

649.178013

ΔHf, kcal/mol:

-210.29

Dipole, Da:

5.27

IP(EA), eV:

 -8.76(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2R)-butan-2-yl]-2-[(2,4-dichlorophenyl)methyl-[2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)acetyl]amino]propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations