Geometry & MOs

Info

ID:

306618

PubChem CID:

125092599

Reduced:

SN3O4C31H39 (1)

Stoich.:

AB3C4D31E39 (1)

Weight, g/mol:

581.255957

ΔHf, kcal/mol:

-132.02

Dipole, Da:

4.24

IP(EA), eV:

 -8.94(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-tert-butyl-2-[[2-(2-methoxy-N-(4-methoxyphenyl)sulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]propanamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1N(CC(=O)N(CC2=CC=C(C=C2)C)[C@@H](C)C(=O)N[C@H](C)CC)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations