Geometry & MOs

Info

ID:	231430
PubChem CID:	87573696
Reduced:	NSO2C21H21 (1)
Stoich.:	ABC2D21E21 (1)
Weight, g/mol:	281.035794
ΔH_f, kcal/mol:	129.74
Dipole, Da:	7.0
IP(EA), eV:	-8.55(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 3-isocyanatosulfonyl-2-methylbenzoate

Drug info:

PubChemData

Smile

C1CNCCC1=C2C=C3C=CC=CC3=CC4=C2SC(=C4)CCC(=O)O

DOS

IR

Vibrations