Geometry & MOs

Info

ID:

193605

PubChem CID:

78412298

Reduced:

N5O6C37H45 (1)

Stoich.:

A5B6C37D45 (1)

Weight, g/mol:

681.352634

ΔHf, kcal/mol:

-209.04

Dipole, Da:

7.59

IP(EA), eV:

 -8.57(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl N-[1-[[1-[[7-amino-1-(3,4-dihydro-2H-quinolin-1-yl)-1,7-dioxohept-2-en-4-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCC(=O)N)C=CC(=O)N(C)C2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations