Geometry & MOs

Info

ID:

214468

PubChem CID:

85083090

Reduced:

N2O9C28H30 (1)

Stoich.:

A2B9C28D30 (1)

Weight, g/mol:

538.242749

ΔHf, kcal/mol:

-345.95

Dipole, Da:

1.99

IP(EA), eV:

 -10.2(-2.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[1-[[1-[(4-acetamido-1,4-dioxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(C)(C)C(=O)NC(COC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)C(=O)OC

DOS

IR

Vibrations