Geometry & MOs

Info

ID:

306529

PubChem CID:

125085665

Reduced:

SCl2N3O5C24H31 (1)

Stoich.:

AB2C3D5E24F31 (1)

Weight, g/mol:

651.149211

ΔHf, kcal/mol:

-200.32

Dipole, Da:

2.34

IP(EA), eV:

 -8.88(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(2R)-butan-2-yl]-2-[[2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(3,4-dichlorophenyl)methyl]amino]butanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations