Geometry & MOs

Info

ID:	105335
PubChem CID:	50106952
Reduced:	O5N6C31H42 (1)
Stoich.:	A5B6C31D42 (1)
Weight, g/mol:	538.253983
ΔH_f, kcal/mol:	-212.0
Dipole, Da:	4.67
IP(EA), eV:	-8.99(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-carbamoyl-2-methoxyanilino)-3-oxopropyl]-1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]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=CC(=C3C)C(=O)NCC(C)C

DOS

IR

Vibrations