Geometry & MOs

Info

ID:	404814
PubChem CID:	135071215
Reduced:	NF2S2O3C20H25 (1)
Stoich.:	AB2C2D3E20F25 (1)
Weight, g/mol:	407.194402
ΔH_f, kcal/mol:	-180.36
Dipole, Da:	4.85
IP(EA), eV:	-8.17(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (5aR,8aR)-2-[(4-methoxyphenyl)methyl]-3,5,5a,6,7,8a-hexahydrofuro[3,2-f]oxazepine-4,4-dicarboxylate

Drug info:

PubChemData

Smile

CC[C@@](C1=CC=CC=C1)(C(F)(F)S(=O)(=O)C2=CC=CC=C2)N[S@](=O)C(C)(C)C

DOS

IR

Vibrations