Geometry & MOs

Info

ID:	17199
PubChem CID:	487604
Reduced:	SN2O2C18H20 (1)
Stoich.:	AB2C2D18E20 (1)
Weight, g/mol:	328.124549
ΔH_f, kcal/mol:	-31.98
Dipole, Da:	4.6
IP(EA), eV:	-8.89(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-benzoyl-N-(4-butan-2-yloxyphenyl)carbamimidothioic acid

Drug info:

PubChemData

Smile

CCC(C)OC1=CC=C(C=C1)NC(=NC(=O)C2=CC=CC=C2)S

DOS

IR

Vibrations