Geometry & MOs

Info

ID:

306632

PubChem CID:

125093027

Reduced:

SCl2N3O4C29H33 (1)

Stoich.:

AB2C3D4E29F33 (1)

Weight, g/mol:

665.188183

ΔHf, kcal/mol:

-122.11

Dipole, Da:

6.04

IP(EA), eV:

 -9.14(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]acetyl]-[(3-chlorophenyl)methyl]amino]-N-[(2R)-butan-2-yl]-3-phenylpropanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations