Geometry & MOs

Info

ID:

302418

PubChem CID:

124361660

Reduced:

N3O4C25H31 (1)

Stoich.:

A3B4C25D31 (1)

Weight, g/mol:

532.2897

ΔHf, kcal/mol:

-126.67

Dipole, Da:

5.7

IP(EA), eV:

 -8.65(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-4-amino-2-[[(2R)-4-methyl-2-[[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenylpiperidine-4-carbonyl]amino]pentanoyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)NC(=O)[C@]23[C@@H](C[C@@H](N3)CC(C)C)C(=O)NC4=C(C=CC(=C4)OC)OC

DOS

IR

Vibrations