Geometry & MOs

Info

ID:	193006
PubChem CID:	78337051
Reduced:	N3O5H17C18 (1)
Stoich.:	A3B5C17D18 (1)
Weight, g/mol:	375.043537
ΔH_f, kcal/mol:	-159.97
Dipole, Da:	5.9
IP(EA), eV:	-8.87(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-4aH-thieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(NC(=O)N=C1C2=CC3=C(C(=CC=C3)OC)NC2=O)C

DOS

IR

Vibrations