Geometry & MOs

Info

ID:	120540
PubChem CID:	50732312
Reduced:	N6O6C31H42 (1)
Stoich.:	A6B6C31D42 (1)
Weight, g/mol:	528.188796
ΔH_f, kcal/mol:	-224.19
Dipole, Da:	7.14
IP(EA), eV:	-8.64(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=C(C=CC(=C1)C(=O)N)OC)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC=C3C(=O)N(C)C

DOS

IR

Vibrations