Geometry & MOs

Info

ID:	93994
PubChem CID:	49997965
Reduced:	N5O5C29H39 (1)
Stoich.:	A5B5C29D39 (1)
Weight, g/mol:	603.261232
ΔH_f, kcal/mol:	-195.19
Dipole, Da:	5.57
IP(EA), eV:	-8.36(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-benzamido-4-chlorophenyl)-1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC=C(C=C3)OC

DOS

IR

Vibrations