Geometry & MOs

Info

ID:	308513
PubChem CID:	125333329
Reduced:	SO3N4H18C19 (1)
Stoich.:	AB3C4D18E19 (1)
Weight, g/mol:	372.169859
ΔH_f, kcal/mol:	-2.18
Dipole, Da:	2.27
IP(EA), eV:	-8.29(-2.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(1R,9aR)-2,3,4,9a-tetrahydro-1H-carbazol-1-yl]-2-phenyl-2-(tetrazol-1-yl)acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)[C@H](N=N2)C3=CC=CC=C3

DOS

IR

Vibrations