Geometry & MOs

Info

ID:	103870
PubChem CID:	50077877
Reduced:	FO5N6C35H41 (1)
Stoich.:	AB5C6D35E41 (1)
Weight, g/mol:	603.284555
ΔH_f, kcal/mol:	-213.42
Dipole, Da:	7.71
IP(EA), eV:	-8.85(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-benzamidophenyl)-1-[1-[2-methyl-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC=C(C=C4)C(=O)N(C)C

DOS

IR

Vibrations