Geometry & MOs

Info

ID:	110645
PubChem CID:	50333810
Reduced:	O4N5C32H43 (1)
Stoich.:	A4B5C32D43 (1)
Weight, g/mol:	537.295119
ΔH_f, kcal/mol:	-165.13
Dipole, Da:	6.39
IP(EA), eV:	-9.09(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-methoxy-3-(propanoylamino)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=C(C=C3)NC(=O)C4CCCCC4)C

DOS

IR

Vibrations