Geometry & MOs

Info

ID:	178510
PubChem CID:	76340064
Reduced:	SN4O5H19C23 (1)
Stoich.:	AB4C5D19E23 (1)
Weight, g/mol:	474.165168
ΔH_f, kcal/mol:	-75.37
Dipole, Da:	5.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.768933
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]amino]-2-oxoethyl]-4-oxo-3H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2NC(=O)CC[N+]3=NC(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations