Geometry & MOs

Info

ID:	266469
PubChem CID:	103567208
Reduced:	NSO2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	289.077265
ΔH_f, kcal/mol:	-67.39
Dipole, Da:	4.18
IP(EA), eV:	-8.6(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-hydroxyphenyl)methoxy]-5-methoxybenzenecarbothioamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C(=S)N)OC2CCCCC2

DOS

IR

Vibrations