Geometry & MOs

Info

ID:	170841
PubChem CID:	75285453
Reduced:	SN3O4C24H25 (1)
Stoich.:	AB3C4D24E25 (1)
Weight, g/mol:	373.146013
ΔH_f, kcal/mol:	-107.21
Dipole, Da:	2.68
IP(EA), eV:	-8.44(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3,5-dimethylphenyl)-2,4-dioxo-4a,7a-dihydrothieno[3,2-d]pyrimidin-1-yl]-N-propylacetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)CN2C3C=CSC3C(=O)N(C2=O)C4=CC(=CC(=C4)C)C

DOS

IR

Vibrations