Geometry & MOs

Info

ID:	422148
PubChem CID:	135117294
Reduced:	SO2N3C19H27 (1)
Stoich.:	AB2C3D19E27 (1)
Weight, g/mol:	291.110673
ΔH_f, kcal/mol:	-54.93
Dipole, Da:	5.26
IP(EA), eV:	-9.07(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CCC1=C(SC(=N1)C)CNC(=O)C2=CC=C(O2)CN3CCC(CC3)C

DOS

IR

Vibrations