Geometry & MOs

Info

ID:	425979
PubChem CID:	135134187
Reduced:	O2N3C14H21 (1)
Stoich.:	A2B3C14D21 (1)
Weight, g/mol:	518.263686
ΔH_f, kcal/mol:	-31.16
Dipole, Da:	5.67
IP(EA), eV:	-8.72(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-tert-butylsulfanyl-N-(4-ethylphenyl)-N-(2-methylpropyl)-4-(oxan-4-ylmethylamino)benzenesulfonamide

Drug info:

PubChemData

Smile

CCN(C(=C)C(=O)NCC1=CC=C(C=C1)OC)NC

DOS

IR

Vibrations