Geometry & MOs

Info

ID:	307543
PubChem CID:	125307429
Reduced:	NSO3C21H25 (1)
Stoich.:	ABC3D21E25 (1)
Weight, g/mol:	371.155515
ΔH_f, kcal/mol:	-91.9
Dipole, Da:	2.51
IP(EA), eV:	-9.2(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cycloheptyl (2R,6S)-3-methyl-4-oxo-6-thiophen-2-yl-2,5,6,7-tetrahydroindole-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C2C(=N[C@H]1C(=O)OC3CCCCCC3)C[C@H](CC2=O)C4=CC=CS4

DOS

IR

Vibrations