Geometry & MOs

Info

ID:

297175

PubChem CID:

117611912

Reduced:

N3O6C25H31 (1)

Stoich.:

A3B6C25D31 (1)

Weight, g/mol:

510.247835

ΔHf, kcal/mol:

-185.74

Dipole, Da:

3.35

IP(EA), eV:

 -8.79(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-3-(4-methoxyphenyl)-2-[[(2S)-2-(methylcarbamoylamino)propanoyl]amino]-N-[(2S)-1-[(2R)-2-methyloxiran-2-yl]-1-oxo-3-phenylpropan-2-yl]propanamide

Drug info:

PubChemData

Smile

CC1(CO1)C(=O)C(CC2=CC=CC=C2)NC(=O)C(CC3=CC=C(C=C3)OC)NC(=O)C(CO)N

DOS

IR

Vibrations