Geometry & MOs

Info

ID:	131974
PubChem CID:	51285514
Reduced:	ClSN2O2C19H19 (1)
Stoich.:	ABC2D2E19F19 (1)
Weight, g/mol:	315.061238
ΔH_f, kcal/mol:	-68.28
Dipole, Da:	2.15
IP(EA), eV:	-8.99(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]thieno[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(C)NC(=O)CC2C(=O)NC3=C(S2)C=CC(=C3)Cl

DOS

IR

Vibrations