Geometry & MOs

Info

ID:	39024
PubChem CID:	8138382
Reduced:	SN4O4C15H18 (1)
Stoich.:	AB4C4D15E18 (1)
Weight, g/mol:	375.104148
ΔH_f, kcal/mol:	-98.83
Dipole, Da:	5.4
IP(EA), eV:	-9.22(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-methyl-2-(quinazolin-4-ylsulfanylmethyl)quinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1N(CC(=O)NNC(=O)C2=CC=CN2)S(=O)(=O)C

DOS

IR

Vibrations