Geometry & MOs

Info

ID:	170842
PubChem CID:	75285454
Reduced:	SN3O3C19H23 (1)
Stoich.:	AB3C3D19E23 (1)
Weight, g/mol:	443.111519
ΔH_f, kcal/mol:	-98.21
Dipole, Da:	1.97
IP(EA), eV:	-9.1(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCNC(=O)CN1C2C=CSC2C(=O)N(C1=O)C3=CC(=CC(=C3)C)C

DOS

IR

Vibrations