Geometry & MOs

Info

ID:	136314
PubChem CID:	52018044
Reduced:	OCl2N5H13C16 (1)
Stoich.:	AB2C5D13E16 (1)
Weight, g/mol:	484.163436
ΔH_f, kcal/mol:	61.37
Dipole, Da:	3.42
IP(EA), eV:	-9.43(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-(4-methoxybenzoyl)-1-benzofuran-3-yl]-2,4,6-trimethyl-3-oxo-1,4-benzoxazine-2-carboxamide

Drug info:

PubChemData

Smile

CCN1C(=NN=N1)C2=CC(=CC=C2)C(=O)NC3=C(C=CC(=C3)Cl)Cl

DOS

IR

Vibrations