Geometry & MOs

Info

ID:	294681
PubChem CID:	117480934
Reduced:	SN2O2H14C16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	298.168128
ΔH_f, kcal/mol:	-23.82
Dipole, Da:	2.18
IP(EA), eV:	-9.18(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraen-5-yl)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)C(CC(=O)O)N

DOS

IR

Vibrations