Geometry & MOs

Info

ID:	49941
PubChem CID:	11538268
Reduced:	O5C23H30 (1)
Stoich.:	A5B23C30 (1)
Weight, g/mol:	386.166414
ΔH_f, kcal/mol:	-188.0
Dipole, Da:	2.76
IP(EA), eV:	-9.6(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-butan-2-yl-3-tert-butyl-N-(4-cyanophenyl)-2-hydroxybenzenesulfonamide

Drug info:

PubChemData

Smile

CC/C=C/[C@@H]1CC(C[C@H]1[C@@H](C=C)C(C2=CC=CC=C2)O)(C(=O)OC)C(=O)OC

DOS

IR

Vibrations