Geometry & MOs

Info

ID:	112467
PubChem CID:	50408159
Reduced:	ClO4N5C27H34 (1)
Stoich.:	AB4C5D27E34 (1)
Weight, g/mol:	575.347155
ΔH_f, kcal/mol:	-162.11
Dipole, Da:	4.99
IP(EA), eV:	-8.78(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(cyclopentylcarbamoyl)phenyl]-1-[1-[3-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)NC(=O)CCNC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)NC

DOS

IR

Vibrations