Geometry & MOs

Info

ID:	110476
PubChem CID:	50326112
Reduced:	N5O5C31H35 (1)
Stoich.:	A5B5C31D35 (1)
Weight, g/mol:	545.243833
ΔH_f, kcal/mol:	-163.12
Dipole, Da:	4.95
IP(EA), eV:	-8.29(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[3-[(4-fluorobenzoyl)amino]-4-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)N)OC

DOS

IR

Vibrations