Geometry & MOs

Info

ID:	141823
PubChem CID:	52933862
Reduced:	N2O4C21H22 (1)
Stoich.:	A2B4C21D22 (1)
Weight, g/mol:	395.093977
ΔH_f, kcal/mol:	-74.34
Dipole, Da:	2.07
IP(EA), eV:	-7.95(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(5-ethylfuran-2-yl)sulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl]pyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CNCCNC1=C(C=C(C=C1)OC2=CC=C(C=C2)O)OC3=CC=C(C=C3)O

DOS

IR

Vibrations