Geometry & MOs

Info

ID:

306610

PubChem CID:

125092347

Reduced:

SN3O4C30H37 (1)

Stoich.:

AB3C4D30E37 (1)

Weight, g/mol:

655.307993

ΔHf, kcal/mol:

-134.81

Dipole, Da:

4.15

IP(EA), eV:

 -8.66(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-[(2S)-butan-2-yl]-2-[[2-(2-ethoxy-N-(4-methylphenyl)sulfonylanilino)acetyl]-[(3-methylphenyl)methyl]amino]-3-phenylpropanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(CC(=O)N(CC2=CC=CC=C2C)[C@H](C)C(=O)NC(C)(C)C)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations