Geometry & MOs

Info

ID:	300248
PubChem CID:	121269943
Reduced:	ClN3O3C14H14 (1)
Stoich.:	AB3C3D14E14 (1)
Weight, g/mol:	273.018367
ΔH_f, kcal/mol:	-44.35
Dipole, Da:	5.11
IP(EA), eV:	-9.07(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[2-cyano-3-(difluoromethyl)-4-fluorophenyl]-methyl-oxo-lambda6-sulfanylidene]cyanamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Cl)C)OC2=NC=C(C=N2)N(C(=O)C)O

DOS

IR

Vibrations