Geometry & MOs

Info

ID:	388148
PubChem CID:	134988327
Reduced:	NSO4C11H11 (1)
Stoich.:	ABC4D11E11 (1)
Weight, g/mol:	197.105193
ΔH_f, kcal/mol:	-108.11
Dipole, Da:	2.3
IP(EA), eV:	-9.07(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl (2R)-2-isocyanato-3-methylpentanoate

Drug info:

PubChemData

Smile

COC(=O)C1=C(CC(=CC1)N=C=S)C(=O)OC

DOS

IR

Vibrations