Geometry & MOs

Info

ID:	110101
PubChem CID:	50309659
Reduced:	ClO4N5C24H28 (1)
Stoich.:	AB4C5D24E28 (1)
Weight, g/mol:	575.229932
ΔH_f, kcal/mol:	-149.0
Dipole, Da:	6.71
IP(EA), eV:	-8.96(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-carbamoyl-2-methylanilino)-1-oxopropan-2-yl]-N-[4-chloro-2-[(2-methylphenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)N)C(=O)N

DOS

IR

Vibrations