Geometry & MOs

Info

ID:	19567
PubChem CID:	567918
Reduced:	SN2O2C22H22 (1)
Stoich.:	AB2C2D22E22 (1)
Weight, g/mol:	378.140199
ΔH_f, kcal/mol:	-11.56
Dipole, Da:	6.59
IP(EA), eV:	-8.48(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(diethylcarbamoyloxy)-N-naphthalen-1-ylbenzenecarboximidothioic acid

Drug info:

PubChemData

Smile

CCN(CC)C(=O)OC1=CC=C(C=C1)C(=NC2=CC=CC3=CC=CC=C32)S

DOS

IR

Vibrations