Geometry & MOs

Info

ID:

306489

PubChem CID:

125083223

Reduced:

SCl2N3O5C37H41 (1)

Stoich.:

AB2C3D5E37F41 (1)

Weight, g/mol:

645.242806

ΔHf, kcal/mol:

-163.11

Dipole, Da:

0.97

IP(EA), eV:

 -8.66(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[2-[N-(benzenesulfonyl)-3,4-dimethylanilino]acetyl]-[(4-chlorophenyl)methyl]amino]-N-(2-methylpropyl)-3-phenylpropanamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N(CC(=O)N(CC2=CC(=C(C=C2)Cl)Cl)[C@H](CC3=CC=CC=C3)C(=O)NC(C)(C)C)S(=O)(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations