Geometry & MOs

Info

ID:	58043
PubChem CID:	24423691
Reduced:	SO2N4C15H16 (1)
Stoich.:	AB2C4D15E16 (1)
Weight, g/mol:	350.060425
ΔH_f, kcal/mol:	59.27
Dipole, Da:	9.79
IP(EA), eV:	-8.99(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-5-nitrophenyl)-1-ethyl-1-(pyridin-4-ylmethyl)thiourea

Drug info:

PubChemData

Smile

CCN(CC1=CC=NC=C1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations