Geometry & MOs

Info

ID:	395002
PubChem CID:	135024395
Reduced:	NSO3C16H17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	320.184635
ΔH_f, kcal/mol:	-88.91
Dipole, Da:	4.94
IP(EA), eV:	-8.45(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[benzyl(methoxycarbonyl)amino]-deuteriomethyl]-4,4-dimethylpent-2-enoate

Drug info:

PubChemData

Smile

C[C@@H]1CN(C2=C1C=CC=C2O)S(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations