Geometry & MOs

Info

ID:	182242
PubChem CID:	76863094
Reduced:	ClNSO2C14H18 (1)
Stoich.:	ABCD2E14F18 (1)
Weight, g/mol:	381.216475
ΔH_f, kcal/mol:	-63.95
Dipole, Da:	4.54
IP(EA), eV:	-9.43(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-imidazol-1-ylphenyl)ethyl]-7-methyl-4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-1,8-naphthyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)S(=O)(=O)C=CC2=CC=C(C=C2)Cl

DOS

IR

Vibrations