Geometry & MOs

Info

ID:	115312
PubChem CID:	50518384
Reduced:	ClO5N6C27H33 (1)
Stoich.:	AB5C6D27E33 (1)
Weight, g/mol:	565.18921
ΔH_f, kcal/mol:	-189.61
Dipole, Da:	8.03
IP(EA), eV:	-8.95(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-carbamoyl-4-chloroanilino)-2-oxoethyl]-N-[2-fluoro-5-[(4-methylbenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N)C(=O)N(C)C

DOS

IR

Vibrations