Geometry & MOs

Info

ID:

187434

PubChem CID:

77571713

Reduced:

O4N6C29H42 (1)

Stoich.:

A4B6C29D42 (1)

Weight, g/mol:

628.283175

ΔHf, kcal/mol:

-127.3

Dipole, Da:

4.57

IP(EA), eV:

 -8.19(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[5-[[[5-(4-acetylpiperazine-1-carbonyl)pyridin-2-yl]amino]methyl]-6-oxopiperidin-3-yl]-2-methylphenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)CCOC1=CC=C(C=C1)NC2NCC3C(N2)N(C(=O)N(C3=O)CC4=CC=C(C=C4)OC)C(C)C

DOS

IR

Vibrations