Geometry & MOs

Info

ID:	129405
PubChem CID:	51072499
Reduced:	OS2N3C16H17 (1)
Stoich.:	AB2C3D16E17 (1)
Weight, g/mol:	300.12224
ΔH_f, kcal/mol:	20.44
Dipole, Da:	5.42
IP(EA), eV:	-9.04(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-imidazol-1-ylethyl)-2-(3-oxo-1,4-benzoxazin-4-yl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)NC(=N2)CSCC(=O)NCCC3=CC=CS3

DOS

IR

Vibrations