Geometry & MOs

Info

ID:	399990
PubChem CID:	135044370
Reduced:	BrNOC12H20 (1)
Stoich.:	ABCD12E20 (1)
Weight, g/mol:	251.061614
ΔH_f, kcal/mol:	-75.98
Dipole, Da:	8.62
IP(EA), eV:	-8.64(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl (Z)-N-methoxycarbonyloxybenzenecarboximidothioate

Drug info:

PubChemData

Smile

CCC(C)NC1=C(C(=O)CC(C1)(C)C)Br

DOS

IR

Vibrations