Geometry & MOs

Info

ID:	33697
PubChem CID:	7887537
Reduced:	OCl2S2N3H13C16 (1)
Stoich.:	AB2C2D3E13F16 (1)
Weight, g/mol:	396.98771
ΔH_f, kcal/mol:	7.09
Dipole, Da:	1.45
IP(EA), eV:	-8.87(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dichlorophenyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC=N2)SCC(=O)NC3=C(C=C(C=C3)Cl)Cl)C

DOS

IR

Vibrations