Geometry & MOs

Info

ID:	106621
PubChem CID:	50171011
Reduced:	N5O5C29H37 (1)
Stoich.:	A5B5C29D37 (1)
Weight, g/mol:	533.300205
ΔH_f, kcal/mol:	-186.99
Dipole, Da:	5.3
IP(EA), eV:	-9.07(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-carbamoylphenyl)-1-[1-[4-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)N4CCOCC4)C

DOS

IR

Vibrations