Geometry & MOs

Info

ID:	382480
PubChem CID:	134973673
Reduced:	SO3C16H16 (1)
Stoich.:	AB3C16D16 (1)
Weight, g/mol:	373.08887
ΔH_f, kcal/mol:	-94.19
Dipole, Da:	3.11
IP(EA), eV:	-8.99(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-2-[(2-bromo-4,5-dimethoxyphenyl)methylamino]-3-methylbutanoate

Drug info:

PubChemData

Smile

CC1=CC2C([C@H]3COC4=CC=CC=C4[C@H]3CS2)C(=O)O1

DOS

IR

Vibrations