Geometry & MOs

Info

ID:	397126
PubChem CID:	135029764
Reduced:	SN2O3C21H22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	382.135114
ΔH_f, kcal/mol:	-64.0
Dipole, Da:	6.45
IP(EA), eV:	-9.23(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(3S,4aR)-3-hydroxy-3,4-dihydrocarbazol-4a-yl]ethyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC[C@]34C[C@@H]([C@H]2CC3=NC5=CC=CC=C45)O

DOS

IR

Vibrations