Geometry & MOs

Info

ID:	402612
PubChem CID:	135056563
Reduced:	NSO2C12H27 (1)
Stoich.:	ABC2D12E27 (1)
Weight, g/mol:	235.193614
ΔH_f, kcal/mol:	-129.48
Dipole, Da:	3.92
IP(EA), eV:	-8.4(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-N-tert-butyl-4-cyclohexylpenta-2,4-dienamide

Drug info:

PubChemData

Smile

CC(C)[C@@H]([C@@H](C(C)C)O)N[S@](=O)C(C)(C)C

DOS

IR

Vibrations