Geometry & MOs

Info

ID:	324292
PubChem CID:	126677351
Reduced:	SN3O6C26H33 (1)
Stoich.:	AB3C6D26E33 (1)
Weight, g/mol:	193.110279
ΔH_f, kcal/mol:	-236.05
Dipole, Da:	3.11
IP(EA), eV:	-8.88(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z,4Z)-2-ethenyl-3-formyl-N,N-dimethylhexa-2,4-dienamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC[C@H]([C@@H](C1)COC2=CC3=C(CNC3=O)C=C2)C4=CC=C(C=C4)NS(=O)(=O)C

DOS

IR

Vibrations