Geometry & MOs

Info

ID:	193216
PubChem CID:	78358642
Reduced:	SN3O4C25H29 (1)
Stoich.:	AB3C4D25E29 (1)
Weight, g/mol:	503.245392
ΔH_f, kcal/mol:	-112.4
Dipole, Da:	2.72
IP(EA), eV:	-8.09(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butan-2-ylsulfanyl-8,8-dimethyl-5-(3,4,5-trimethoxyphenyl)-2,3,4a,5,7,9,10,10a-octahydro-1H-pyrimido[4,5-b]quinoline-4,6-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C2=C3C(=NC4=C2C(=O)CCC4)NC(=NC3=O)SCCC(C)C)OC

DOS

IR

Vibrations