Geometry & MOs

Info

ID:	110644
PubChem CID:	50333771
Reduced:	O4N5C30H41 (1)
Stoich.:	A4B5C30D41 (1)
Weight, g/mol:	561.331505
ΔH_f, kcal/mol:	-170.44
Dipole, Da:	4.88
IP(EA), eV:	-8.74(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(cyclohexanecarbonylamino)phenyl]-1-[2-[2-methyl-3-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC(=C3C)C(=O)NCCC)C

DOS

IR

Vibrations