Geometry & MOs

Info

ID:	110469
PubChem CID:	50325803
Reduced:	FO4N5C30H40 (1)
Stoich.:	AB4C5D30E40 (1)
Weight, g/mol:	498.239769
ΔH_f, kcal/mol:	-209.53
Dipole, Da:	7.7
IP(EA), eV:	-8.89(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-methylphenyl)-1-[1-[2-methyl-3-(propan-2-ylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)N(C)C

DOS

IR

Vibrations