Geometry & MOs

Info

ID:	414481
PubChem CID:	135087439
Reduced:	N3O3C20H29 (1)
Stoich.:	A3B3C20D29 (1)
Weight, g/mol:	367.145344
ΔH_f, kcal/mol:	-127.19
Dipole, Da:	6.6
IP(EA), eV:	-8.74(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-7-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-7-azaspiro[4.5]decan-4-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NCCC(=O)N[C@H]2COC[C@@H]2N3CCCCC3

DOS

IR

Vibrations