Geometry & MOs

Info

ID:	238599
PubChem CID:	92763355
Reduced:	SN2O4H28C31 (1)
Stoich.:	AB2C4D28E31 (1)
Weight, g/mol:	320.134068
ΔH_f, kcal/mol:	-83.73
Dipole, Da:	5.38
IP(EA), eV:	-8.78(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-[[(3R)-1,1-dioxothiolan-3-yl]amino]ethylamino]ethyl]-3-prop-2-enylthiourea

Drug info:

PubChemData

Smile

CCC1=CC=CC(=C1NC(=O)[C@@H](C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4C(=O)O)C

DOS

IR

Vibrations