Geometry & MOs

Info

ID:	46254
PubChem CID:	10523517
Reduced:	O2N3C23H25 (1)
Stoich.:	A2B3C23D25 (1)
Weight, g/mol:	375.150429
ΔH_f, kcal/mol:	3.04
Dipole, Da:	7.59
IP(EA), eV:	-8.28(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3E)-4-(4-methylcyclohex-3-en-1-yl)penta-1,3-dien-2-yl] N-(4-methylphenyl)sulfonylcarbamate

Drug info:

PubChemData

Smile

CC/C(=N/C1=C(C2=CC=CC=C2N1CC3=CC=CC=C3)C=O)/N4CCOCC4

DOS

IR

Vibrations