Geometry & MOs

Info

ID:

191773

PubChem CID:

78187366

Reduced:

SN4O6C35H52 (1)

Stoich.:

AB4C6D35E52 (1)

Weight, g/mol:

676.329456

ΔHf, kcal/mol:

-243.45

Dipole, Da:

5.98

IP(EA), eV:

 -9.15(0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(benzylcarbamoylamino)-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

CCCCN(C)C(=O)NC(C(=O)NC(CC1=CC=CC=C1)C2C(O2)CC(=O)NC(CC3=CC=CC=C3)C(C)C)C(C)(C)S(=O)(=O)C

DOS

IR

Vibrations