Geometry & MOs

Info

ID:	382611
PubChem CID:	134973875
Reduced:	NOBr2C14H15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	513.08207
ΔH_f, kcal/mol:	-8.2
Dipole, Da:	2.91
IP(EA), eV:	-9.52(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-2-[benzenesulfonyl-[(2-bromo-4,5-dimethoxyphenyl)methyl]amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

C1CN2C[C@@H]([C@@H](CC1C3=CC=CC=C3C2=O)Br)Br

DOS

IR

Vibrations