Geometry & MOs

Info

ID:	107043
PubChem CID:	50186435
Reduced:	N5O5C28H35 (1)
Stoich.:	A5B5C28D35 (1)
Weight, g/mol:	595.292532
ΔH_f, kcal/mol:	-181.95
Dipole, Da:	6.7
IP(EA), eV:	-8.94(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-5-(propylcarbamoyl)phenyl]-1-[2-[4-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)C(=O)N

DOS

IR

Vibrations