Geometry & MOs

Info

ID:	449790
PubChem CID:	135301489
Reduced:	NO2H17C21 (1)
Stoich.:	AB2C17D21 (1)
Weight, g/mol:	147.071785
ΔH_f, kcal/mol:	98.18
Dipole, Da:	9.78
IP(EA), eV:	-6.66(-2.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(R,E)-3,3-dimethylbut-1-ene-1-sulfinamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C3=C(C=CC=N3)C45C26CC(=O)C(C4)(C6)C(=O)C5

DOS

IR

Vibrations