Geometry & MOs

Info

ID:	440830
PubChem CID:	135231729
Reduced:	SF3N4O5C30H47 (1)
Stoich.:	AB3C4D5E30F47 (1)
Weight, g/mol:	193.146664
ΔH_f, kcal/mol:	-398.67
Dipole, Da:	6.5
IP(EA), eV:	-9.46(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(2E)-5-methyl-2-prop-1-en-2-ylhexa-2,4-dienyl]amino]acetaldehyde

Drug info:

PubChemData

Smile

CC(C)CCCC(C)CCCC(C)CCC/C(=C/CSC[C@@H](C(=O)O)NC(=O)NC1=NC=C(C(=N1)C(F)(F)F)C(=O)O)/C

DOS

IR

Vibrations