Geometry & MOs

Info

ID:

191772

PubChem CID:

78187283

Reduced:

O3N6H34C35 (1)

Stoich.:

A3B6C34D35 (1)

Weight, g/mol:

656.360757

ΔHf, kcal/mol:

14.34

Dipole, Da:

5.55

IP(EA), eV:

 -9.14(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[butyl(methyl)carbamoyl]amino]-3-methyl-N-[1-[3-[2-[(3-methyl-1-phenylbutan-2-yl)amino]-2-oxoethyl]oxiran-2-yl]-2-phenylethyl]-3-methylsulfonylbutanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2C(C(C(N(C(=O)N2CC3=CC4=C(C=C3)N=CN4)CC5=CC6=C(C=C5)N=CN6)CC7=CC=CC=C7)O)O

DOS

IR

Vibrations