Geometry & MOs

Info

ID:	60873
PubChem CID:	26702775
Reduced:	SN2O7H16C19 (1)
Stoich.:	AB2C7D16E19 (1)
Weight, g/mol:	471.106434
ΔH_f, kcal/mol:	-227.91
Dipole, Da:	5.95
IP(EA), eV:	-9.34(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C=N2)C)C(=O)OC3=CC(=CC(=C3)C(=O)OC)C(=O)OC

DOS

IR

Vibrations