Geometry & MOs

Info

ID:	61332
PubChem CID:	26708234
Reduced:	SN3O4C19H19 (1)
Stoich.:	AB3C4D19E19 (1)
Weight, g/mol:	385.109627
ΔH_f, kcal/mol:	-69.82
Dipole, Da:	5.93
IP(EA), eV:	-9.31(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[(3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carbonyl)amino]benzoate

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CCC2=NC(=NO2)C3=CSC=C3

DOS

IR

Vibrations