Geometry & MOs

Info

ID:	31145
PubChem CID:	854757
Reduced:	SN2O2H8C13 (1)
Stoich.:	AB2C2D8E13 (1)
Weight, g/mol:	332.071641
ΔH_f, kcal/mol:	3.87
Dipole, Da:	4.5
IP(EA), eV:	-9.32(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-2-amino-4-(3-chlorophenyl)-4H-benzo[h]chromene-3-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC=N3)C(=O)O

DOS

IR

Vibrations