Geometry & MOs

Info

ID:	412717
PubChem CID:	135085631
Reduced:	BrS2O3C10H11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	203.094629
ΔH_f, kcal/mol:	-99.66
Dipole, Da:	2.75
IP(EA), eV:	-9.06(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (NE)-N-[(E)-2-methyl-3-phenylprop-2-enylidene]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)CSC1=C(SC=C1Br)C(=O)C

DOS

IR

Vibrations