Geometry & MOs

Info

ID:	349532
PubChem CID:	127275419
Reduced:	SO3N4C17H28 (1)
Stoich.:	AB3C4D17E28 (1)
Weight, g/mol:	255.104148
ΔH_f, kcal/mol:	-110.77
Dipole, Da:	2.91
IP(EA), eV:	-8.7(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-(5-methyl-1,3-thiazol-2-yl)-1,4-oxazepane-4-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CCCO1)C(=O)NC2=NC(=CS2)CN3CC(OC(C3)C)C

DOS

IR

Vibrations