Geometry & MOs

Info

ID:	110470
PubChem CID:	50325804
Reduced:	ClO3N4C27H35 (1)
Stoich.:	AB3C4D27E35 (1)
Weight, g/mol:	478.294391
ΔH_f, kcal/mol:	-127.32
Dipole, Da:	2.87
IP(EA), eV:	-9.0(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethylphenyl)-1-[1-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations