Geometry & MOs

Info

ID:	328939
PubChem CID:	126729362
Reduced:	SF2O2N3C7H7 (1)
Stoich.:	AB2C2D3E7F7 (1)
Weight, g/mol:	239.152144
ΔH_f, kcal/mol:	-127.59
Dipole, Da:	8.58
IP(EA), eV:	-9.51(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-isocyanatoethyl 4,4-dimethyl-2-prop-1-en-2-ylpentanoate

Drug info:

PubChemData

Smile

CC(C1NN2C=C(N=C2S1)C(=O)O)(F)F

DOS

IR

Vibrations