Geometry & MOs

Info

ID:	38412
PubChem CID:	8036145
Reduced:	SN2O2C21H33 (1)
Stoich.:	AB2C2D21E33 (1)
Weight, g/mol:	376.218449
ΔH_f, kcal/mol:	-63.63
Dipole, Da:	6.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752102
Charge, e:	0

Chem-info

IUPAC name:

4-(1-adamantyl)-N-[3-(dimethylamino)propyl]benzenesulfonamide

Drug info:

PubChemData

Smile

C[NH+](C)CCCNS(=O)(=O)C1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3

DOS

IR

Vibrations