Geometry & MOs

Info

ID:	110689
PubChem CID:	50336149
Reduced:	N5O5C34H41 (1)
Stoich.:	A5B5C34D41 (1)
Weight, g/mol:	585.295119
ΔH_f, kcal/mol:	-169.29
Dipole, Da:	5.17
IP(EA), eV:	-8.15(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-benzamido-3-methoxyphenyl)-1-[2-[2-methyl-3-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)NC(=O)C4=CC=C(C=C4)C)OC)C

DOS

IR

Vibrations