Geometry & MOs

Info

ID:	412221
PubChem CID:	135085104
Reduced:	NPPdO2C43H64 (1)
Stoich.:	ABCD2E43F64 (1)
Weight, g/mol:	253.11365
ΔH_f, kcal/mol:	-36.53
Dipole, Da:	1.88
IP(EA), eV:	-6.92(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NE)-2,6-dimethyl-N-(3-methylbutylidene)benzenesulfonamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=C(C(=C1)C(C)C)C2=C(C=CC(=C2[PH+](C3CCCCC3)C4CCCCC4)OC)OC)C(C)C.C1=CC=C([C-]=C1)CCN.[Pd]

DOS

IR

Vibrations