Geometry & MOs

Info

ID:	381127
PubChem CID:	134971775
Reduced:	NO3C10H19 (1)
Stoich.:	AB3C10D19 (1)
Weight, g/mol:	411.06814
ΔH_f, kcal/mol:	-137.89
Dipole, Da:	2.62
IP(EA), eV:	-9.06(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(2-bromophenyl)methyl]-N-[(5R,6R)-5-ethenyl-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl]carbamate

Drug info:

PubChemData

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C[C@@H](CO)[C@@H]([C@H](C)/C=C/N(C)C=O)O

DOS

IR

Vibrations