Geometry & MOs

Info

ID:	356402
PubChem CID:	127291475
Reduced:	O2S2N3C19H29 (1)
Stoich.:	A2B2C3D19E29 (1)
Weight, g/mol:	341.213698
ΔH_f, kcal/mol:	-80.5
Dipole, Da:	4.75
IP(EA), eV:	-8.57(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(azepan-1-yl)ethyl]-3-(2-methylbutanoyl)-1,3-thiazolidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)N1CSCC1C(=O)NCC(C)N2CCC3=C(C2)C=CS3

DOS

IR

Vibrations