Geometry & MOs

Info

ID:	118370
PubChem CID:	50639898
Reduced:	ClO4N5C27H34 (1)
Stoich.:	AB4C5D27E34 (1)
Weight, g/mol:	581.276883
ΔH_f, kcal/mol:	-158.51
Dipole, Da:	2.19
IP(EA), eV:	-9.18(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(propylcarbamoyl)anilino]-2-oxoethyl]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=C(C=C3)C(=O)NC)C

DOS

IR

Vibrations