Geometry & MOs

Info

ID:

297077

PubChem CID:

117607945

Reduced:

N3O8C32H41 (1)

Stoich.:

A3B8C32D41 (1)

Weight, g/mol:

557.310101

ΔHf, kcal/mol:

-299.18

Dipole, Da:

4.55

IP(EA), eV:

 -8.8(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(2R)-1-[[(2S)-1-[[(2S)-3-cyclobutyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopropan-2-yl]amino]-3-(4-methoxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-4-hydroxycyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC(CC1=CC=C(C=C1)OC)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)C3(CO3)C)NC(=O)C4CCC(CC4)O

DOS

IR

Vibrations