Geometry & MOs

Info

ID:	389788
PubChem CID:	134995245
Reduced:	ClSN2O2C12H13 (1)
Stoich.:	ABC2D2E12F13 (1)
Weight, g/mol:	241.131408
ΔH_f, kcal/mol:	-44.93
Dipole, Da:	2.15
IP(EA), eV:	-8.4(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-4-(1-acetyloxy-2-methylpropan-2-yl)imino-3-methylbut-2-enoate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)NC(=C2)C(=O)NCCSCl

DOS

IR

Vibrations