Geometry & MOs

Info

ID:	119046
PubChem CID:	50668572
Reduced:	ClO3N4C26H33 (1)
Stoich.:	AB3C4D26E33 (1)
Weight, g/mol:	623.287447
ΔH_f, kcal/mol:	-117.53
Dipole, Da:	3.12
IP(EA), eV:	-8.6(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]-N-[2-[(2-methylcyclohexyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N(C)C)Cl)C

DOS

IR

Vibrations