Geometry & MOs

Info

ID:

306540

PubChem CID:

125086374

Reduced:

SCl2N3O4C24H31 (1)

Stoich.:

AB2C3D4E24F31 (1)

Weight, g/mol:

725.23019

ΔHf, kcal/mol:

-179.99

Dipole, Da:

2.48

IP(EA), eV:

 -9.01(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[2-[N-(benzenesulfonyl)-2-chloro-5-(trifluoromethyl)anilino]acetyl]-[(2-methylphenyl)methyl]amino]-N-cyclohexyl-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N(CC(=O)N(CC2=CC(=CC=C2)Cl)[C@H](C)C(=O)NCC(C)C)S(=O)(=O)C)Cl

DOS

IR

Vibrations