Geometry & MOs

Info

ID:	231983
PubChem CID:	87575055
Reduced:	NO2H13C18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	399.1293
ΔH_f, kcal/mol:	0.25
Dipole, Da:	4.59
IP(EA), eV:	-8.8(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-phenylethanethioic S-acid;2-phenylnaphthalene-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)C2=C(C3=CC=CC=C3C=C2)C=O

DOS

IR

Vibrations