Geometry & MOs

Info

ID:	349533
PubChem CID:	127275420
Reduced:	SO2N3C11H17 (1)
Stoich.:	AB2C3D11E17 (1)
Weight, g/mol:	340.156912
ΔH_f, kcal/mol:	-63.11
Dipole, Da:	4.17
IP(EA), eV:	-9.45(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)NC2=NC=C(S2)C

DOS

IR

Vibrations