Geometry & MOs

Info

ID:	136707
PubChem CID:	52087537
Reduced:	FN2O4C23H27 (1)
Stoich.:	AB2C4D23E27 (1)
Weight, g/mol:	396.204907
ΔH_f, kcal/mol:	-187.53
Dipole, Da:	3.2
IP(EA), eV:	-8.45(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-methyl-4-(2-methylpropyl)-3-oxo-1,4-benzoxazin-6-yl]-2-propoxybenzamide

Drug info:

PubChemData

Smile

CC[C@H](C(=O)NC1=CC2=C(C=C1)O[C@H](C(=O)N2CC(C)C)C)OC3=CC=C(C=C3)F

DOS

IR

Vibrations