Geometry & MOs

Info

ID:	387248
PubChem CID:	134984565
Reduced:	OSN2C18H24 (1)
Stoich.:	ABC2D18E24 (1)
Weight, g/mol:	458.154529
ΔH_f, kcal/mol:	12.46
Dipole, Da:	2.23
IP(EA), eV:	-8.51(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methylbenzenesulfonic acid;1-propan-2-yl-2-prop-2-enylhydrazine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H]2C[C@@H](N(O2)C(C)(C)C)C3=NC(=CS3)C

DOS

IR

Vibrations