Geometry & MOs

Info

ID:	206835
PubChem CID:	80307145
Reduced:	OSN2C17H24 (1)
Stoich.:	ABC2D17E24 (1)
Weight, g/mol:	261.057198
ΔH_f, kcal/mol:	-16.97
Dipole, Da:	1.61
IP(EA), eV:	-8.8(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-4-(1,3-thiazol-2-ylmethyl)-1,4-benzoxazin-3-one

Drug info:

PubChemData

Smile

CC(CC1=CC=C(C=C1)OCC2=NC(=CS2)C(C)(C)C)N

DOS

IR

Vibrations