Geometry & MOs

Info

ID:	144031
PubChem CID:	53302826
Reduced:	NSO3H17C24 (1)
Stoich.:	ABC3D17E24 (1)
Weight, g/mol:	381.230394
ΔH_f, kcal/mol:	-27.7
Dipole, Da:	2.69
IP(EA), eV:	-8.6(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E)-5-(1,3-benzodioxol-5-yl)-N,N-dicyclohexylpenta-2,4-dienamide

Drug info:

PubChemData

Smile

CC1(C(=O)C2=C(NC1=O)SC=C2C3=C(C4=CC=CC=C4C=C3)O)C5=CC=CC=C5

DOS

IR

Vibrations