Geometry & MOs

Info

ID:	95572
PubChem CID:	50010390
Reduced:	FO4N5C32H36 (1)
Stoich.:	AB4C5D32E36 (1)
Weight, g/mol:	479.253255
ΔH_f, kcal/mol:	-168.7
Dipole, Da:	9.11
IP(EA), eV:	-8.88(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-carbamoyl-2-methylphenyl)-1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC=CC=C4F)C

DOS

IR

Vibrations