Geometry & MOs

Info

ID:

159952

PubChem CID:

57299325

Reduced:

N2O3C14H15 (2)

Stoich.:

A2B3C14D15 (2)

Weight, g/mol:

649.362805

ΔHf, kcal/mol:

-206.7

Dipole, Da:

6.84

IP(EA), eV:

 -8.79(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[6-[[(2S)-6-amino-1-(dimethylamino)-1-oxohexan-2-yl]amino]-5-benzyl-1-naphthalen-2-yl-3,6-dioxohexan-2-yl]-3-(aminomethyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)NC2=C(C=C(C=C2)N(C3=CC=C(C=C3)C(CC(=O)O)NC(=O)C)C(=O)C)OC

DOS

IR

Vibrations