Geometry & MOs

Info

ID:	172348
PubChem CID:	75497200
Reduced:	SN3O4C22H29 (1)
Stoich.:	AB3C4D22E29 (1)
Weight, g/mol:	374.075885
ΔH_f, kcal/mol:	-122.62
Dipole, Da:	7.05
IP(EA), eV:	-8.96(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,1-dioxothiolan-3-yl)-1-prop-2-ynyl-3-(3-thiophen-2-ylphenyl)urea

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1)C2=CC=CC=C2NC(=O)N(CCOC)C3CCS(=O)(=O)C3

DOS

IR

Vibrations