Geometry & MOs

Info

ID:	119165
PubChem CID:	50672558
Reduced:	ClFO3N4C29H36 (1)
Stoich.:	ABC3D4E29F36 (1)
Weight, g/mol:	635.323833
ΔH_f, kcal/mol:	-177.53
Dipole, Da:	4.75
IP(EA), eV:	-9.1(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(cyclohexylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[4-(cyclohexylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCCC4)Cl

DOS

IR

Vibrations