Geometry & MOs

Info

ID:	356338
PubChem CID:	127291411
Reduced:	SN2O4C20H26 (1)
Stoich.:	AB2C4D20E26 (1)
Weight, g/mol:	392.176979
ΔH_f, kcal/mol:	-145.86
Dipole, Da:	7.34
IP(EA), eV:	-8.9(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-3-(3,3-dimethylbutanoyl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)N2CSCC2C(=O)NCC3=CC4=C(C=C3)OCCCO4

DOS

IR

Vibrations