Geometry & MOs

Info

ID:	303831
PubChem CID:	124490229
Reduced:	BrIO2H6C8 (1)
Stoich.:	ABC2D6E8 (1)
Weight, g/mol:	406.152872
ΔH_f, kcal/mol:	-19.41
Dipole, Da:	3.01
IP(EA), eV:	-9.46(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-N-[(4-hydroxyphenyl)methyl]-2-[(2R)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1I)C=O)Br

DOS

IR

Vibrations