Geometry & MOs

Info

ID:

306616

PubChem CID:

125092580

Reduced:

ClSN3O5C32H40 (1)

Stoich.:

ABC3D5E32F40 (1)

Weight, g/mol:

603.196998

ΔHf, kcal/mol:

-171.8

Dipole, Da:

4.52

IP(EA), eV:

 -8.68(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]acetyl]-[(4-methoxyphenyl)methyl]amino]-N-[(2R)-butan-2-yl]butanamide

Drug info:

PubChemData

Smile

CC[C@H](C)NC(=O)[C@@H](CC)N(CCC1=CC=CC=C1)C(=O)CN(C2=CC=CC=C2OCC)S(=O)(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations