Geometry & MOs

Info

ID:	31294
PubChem CID:	855538
Reduced:	SO2N3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	345.151098
ΔH_f, kcal/mol:	-18.22
Dipole, Da:	2.56
IP(EA), eV:	-8.61(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,4-dimethoxyphenyl)methyl]-3-ethyl-1-(pyridin-3-ylmethyl)thiourea

Drug info:

PubChemData

Smile

CCNC(=S)NC1=CC=CC=C1NC(=O)C2=CC=CO2

DOS

IR

Vibrations