Geometry & MOs

Info

ID:	192342
PubChem CID:	78258475
Reduced:	SO3N6C23H29 (1)
Stoich.:	AB3C6D23E29 (1)
Weight, g/mol:	361.124883
ΔH_f, kcal/mol:	54.14
Dipole, Da:	5.47
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.837930
Charge, e:	0

Chem-info

IUPAC name:

2-[(4,6,8-trimethylquinolin-2-yl)sulfanylmethyl]-4aH-quinazolin-4-one

Drug info:

PubChemData

Smile

CCC(C1=NN=C(N1CC2=CC=CC=C2)SCC(=O)NC3=CC(=C(C=C3)C)[N+](=O)[O-])[NH+](C)C

DOS

IR

Vibrations