Geometry & MOs

Info

ID:	392925
PubChem CID:	135018549
Reduced:	C27H46 (1)
Stoich.:	A27B46 (1)
Weight, g/mol:	349.098394
ΔH_f, kcal/mol:	-82.96
Dipole, Da:	0.38
IP(EA), eV:	-9.37(1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NZ)-N-[2-(2,2-dimethoxyethyl)-4-oxocyclohexa-2,5-dien-1-ylidene]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)CCCC(C)[C@H]1CCC2[C@@]1(CCC3C2CC[C@@H]4[C@@]3(CC=CC4)C)C

DOS

IR

Vibrations