Geometry & MOs

Info

ID:	317748
PubChem CID:	126645642
Reduced:	SF3O3N7H28C30 (1)
Stoich.:	AB3C3D7E28F30 (1)
Weight, g/mol:	383.173273
ΔH_f, kcal/mol:	-157.07
Dipole, Da:	3.18
IP(EA), eV:	-8.77(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-O-tert-butyl 7-O-methyl 4-benzyl-2,3-dihydro-1,4-benzoxazine-2,7-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(C)C)N\2C(=O)CS/C2=N\C(=O)NC3=CC=C(C=C3)CNC4=NN(C=N4)C5=CC=C(C=C5)OC(F)(F)F

DOS

IR

Vibrations