Geometry & MOs

Info

ID:	338148
PubChem CID:	127258840
Reduced:	NSO2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	233.141579
ΔH_f, kcal/mol:	-62.22
Dipole, Da:	2.53
IP(EA), eV:	-8.54(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methyl-5-propan-2-ylphenyl) N-[(E)-prop-1-enyl]carbamate

Drug info:

PubChemData

Smile

C/C=C/NC(=O)OC1=CC(=C(C=C1)SC)C

DOS

IR

Vibrations