Geometry & MOs

Info

ID:

107558

PubChem CID:

50208709

Reduced:

ClO4N5C25H30 (1)

Stoich.:

AB4C5D25E30 (1)

Weight, g/mol:

668.308911

ΔHf, kcal/mol:

-153.51

Dipole, Da:

5.71

IP(EA), eV:

 -8.67(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)Cl)NC(=O)C

DOS

IR

Vibrations