Geometry & MOs

Info

ID:

105290

PubChem CID:

50106832

Reduced:

O5N6C31H40 (1)

Stoich.:

A5B6C31D40 (1)

Weight, g/mol:

592.300933

ΔHf, kcal/mol:

-197.18

Dipole, Da:

2.06

IP(EA), eV:

 -8.96(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[3-[2-methyl-4-(morpholine-4-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC=C(C=C3)C(=O)N4CCCCC4

DOS

IR

Vibrations