Geometry & MOs

Info

ID:	150454
PubChem CID:	53790144
Reduced:	SN3O6C18H19 (1)
Stoich.:	AB3C6D18E19 (1)
Weight, g/mol:	355.157229
ΔH_f, kcal/mol:	-187.61
Dipole, Da:	7.16
IP(EA), eV:	-8.66(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3,4-dihydro-2H-chromen-4-yl)phenoxy]-2-phenylpropanenitrile

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(=O)N3C=C(CC3C(N2)S(=O)O)C=CC(=O)N)OC(=O)C

DOS

IR

Vibrations