Geometry & MOs

Info

ID:	204370
PubChem CID:	79955649
Reduced:	SO3C8H14 (1)
Stoich.:	AB3C8D14 (1)
Weight, g/mol:	288.16602
ΔH_f, kcal/mol:	-156.35
Dipole, Da:	4.55
IP(EA), eV:	-9.28(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(5,5-dimethylthian-3-yl)amino]phenyl]-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CC1(CCSCC1(C(=O)O)O)C

DOS

IR

Vibrations