Geometry & MOs

Info

ID:	104240
PubChem CID:	50100107
Reduced:	ClO4N5C28H34 (1)
Stoich.:	AB4C5D28E34 (1)
Weight, g/mol:	541.209197
ΔH_f, kcal/mol:	-165.12
Dipole, Da:	7.69
IP(EA), eV:	-9.14(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-carbamoyl-2-methylanilino)-2-oxoethyl]-N-[4-chloro-2-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)Cl)C(=O)NC4CCCC4

DOS

IR

Vibrations