Geometry & MOs

Info

ID:	214598
PubChem CID:	85083255
Reduced:	S2N6O9C20H24 (1)
Stoich.:	A2B6C9D20E24 (1)
Weight, g/mol:	560.253589
ΔH_f, kcal/mol:	-265.02
Dipole, Da:	7.52
IP(EA), eV:	-9.18(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-ethyl-4-methyl-3-[(4-nitrophenyl)methyl]-1-[[4-[2-(tetrazolidin-5-yl)phenyl]phenyl]methyl]quinolin-2-one

Drug info:

PubChemData

Smile

CC(OC(=O)C)OC(=O)C1=C(CSC2N1C(=O)C2NC(=O)C(=NO)C3=CSC(=N3)N)COC(=O)N(C)C

DOS

IR

Vibrations