Geometry & MOs

Info

ID:	373548
PubChem CID:	131316879
Reduced:	ClSN2H5C11 (1)
Stoich.:	ABC2D5E11 (1)
Weight, g/mol:	199.074562
ΔH_f, kcal/mol:	95.29
Dipole, Da:	4.81
IP(EA), eV:	-9.45(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-amino-3,4-dihydro-2H-chromene-5,7-dicarbonitrile

Drug info:

PubChemData

Smile

C1=C(C=C2C(=C1C#N)C(=CS2)CCl)C#N

DOS

IR

Vibrations