Geometry & MOs

Info

ID:	110241
PubChem CID:	50316466
Reduced:	FO4N5C30H32 (1)
Stoich.:	AB4C5D30E32 (1)
Weight, g/mol:	555.284555
ΔH_f, kcal/mol:	-160.78
Dipole, Da:	10.16
IP(EA), eV:	-8.89(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[4-[(4-methylbenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC=C2F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)C(=O)N

DOS

IR

Vibrations