Geometry & MOs

Info

ID:	358759
PubChem CID:	127296586
Reduced:	SO2N3C18H29 (1)
Stoich.:	AB2C3D18E29 (1)
Weight, g/mol:	382.203862
ΔH_f, kcal/mol:	-97.93
Dipole, Da:	3.84
IP(EA), eV:	-8.35(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-4-propoxyazepane-1-carboxamide

Drug info:

PubChemData

Smile

CCCOC1CCCN(CC1)C(=O)NC2=NC3=C(S2)CCCCC3

DOS

IR

Vibrations