Geometry & MOs

Info

ID:	76228
PubChem CID:	48424629
Reduced:	NSO2C16H25 (1)
Stoich.:	ABC2D16E25 (1)
Weight, g/mol:	309.194008
ΔH_f, kcal/mol:	-74.15
Dipole, Da:	3.34
IP(EA), eV:	-9.09(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-[2-(cyclopropylmethoxy)propanoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate

Drug info:

PubChemData

Smile

CC(C(=O)NC(C1=CC=CS1)C(C)(C)C)OCC2CC2

DOS

IR

Vibrations