Geometry & MOs

Info

ID:	117547
PubChem CID:	50606974
Reduced:	ClO5N6C32H35 (1)
Stoich.:	AB5C6D32E35 (1)
Weight, g/mol:	515.193547
ΔH_f, kcal/mol:	-175.27
Dipole, Da:	9.53
IP(EA), eV:	-8.58(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(5-carbamoyl-2-chloroanilino)-2-oxoethyl]-N-[1-(4-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N)Cl

DOS

IR

Vibrations