Geometry & MOs

Info

ID:	300219
PubChem CID:	121269873
Reduced:	BrClN2O2H6C7 (1)
Stoich.:	ABC2D2E6F7 (1)
Weight, g/mol:	257.023453
ΔH_f, kcal/mol:	-49.91
Dipole, Da:	3.56
IP(EA), eV:	-9.56(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[2-cyano-3-(difluoromethyl)-4-fluorophenyl]-methyl-lambda4-sulfanylidene]cyanamide

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1Br)Cl)NC(=O)CO

DOS

IR

Vibrations