Geometry & MOs

Info

ID:

16406

PubChem CID:

467141

Reduced:

N4O7C30H42 (1)

Stoich.:

A4B7C30D42 (1)

Weight, g/mol:

570.30535

ΔHf, kcal/mol:

-326.02

Dipole, Da:

2.74

IP(EA), eV:

 -9.61(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-1-[[2-hydroxy-1-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]ethyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@H](CC1=CC=CC=C1)C(=O)NC(CO)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C

DOS

IR

Vibrations