Geometry & MOs

Info

ID:	27846
PubChem CID:	823848
Reduced:	SN2O3C14H18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	322.077599
ΔH_f, kcal/mol:	-116.39
Dipole, Da:	5.05
IP(EA), eV:	-9.01(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-hydroxyphenyl)carbamothioyl]naphthalene-1-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)NC(=S)NC1=CC=C(C=C1)C(=O)OC

DOS

IR

Vibrations