Geometry & MOs

Info

ID:	29370
PubChem CID:	833404
Reduced:	SN2O2C13H16 (1)
Stoich.:	AB2C2D13E16 (1)
Weight, g/mol:	302.072513
ΔH_f, kcal/mol:	-53.55
Dipole, Da:	5.4
IP(EA), eV:	-8.48(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-hydroxyphenyl)carbamothioyl]-4-methoxybenzamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)NC(=S)N2CCCC2

DOS

IR

Vibrations