Geometry & MOs

Info

ID:	58042
PubChem CID:	24423688
Reduced:	SF3N3C16H16 (1)
Stoich.:	AB3C3D16E16 (1)
Weight, g/mol:	316.099397
ΔH_f, kcal/mol:	-98.29
Dipole, Da:	6.18
IP(EA), eV:	-8.79(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-(4-nitrophenyl)-1-(pyridin-4-ylmethyl)thiourea

Drug info:

PubChemData

Smile

CCN(CC1=CC=NC=C1)C(=S)NC2=CC=CC(=C2)C(F)(F)F

DOS

IR

Vibrations