Geometry & MOs

Info

ID:	349539
PubChem CID:	127275426
Reduced:	SO2N3C14H21 (1)
Stoich.:	AB2C3D14E21 (1)
Weight, g/mol:	241.088498
ΔH_f, kcal/mol:	-82.34
Dipole, Da:	2.39
IP(EA), eV:	-8.41(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(1,3-thiazol-2-yl)-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)NC2=NC3=C(S2)CCCC3

DOS

IR

Vibrations