Geometry & MOs

Info

ID:	177990
PubChem CID:	76261406
Reduced:	SCl2O2N3C21H21 (1)
Stoich.:	AB2C2D3E21F21 (1)
Weight, g/mol:	445.175004
ΔH_f, kcal/mol:	48.84
Dipole, Da:	3.5
IP(EA), eV:	-8.78(-2.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]-4-oxo-3H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCCN(CC1=NC(=O)C2C=CC(=CC2=N1)Cl)C(=O)C(C)SC3=CC=CC=C3Cl

DOS

IR

Vibrations