Geometry & MOs

Info

ID:	403864
PubChem CID:	135062220
Reduced:	BrSN2O5C19H25 (1)
Stoich.:	ABC2D5E19F25 (1)
Weight, g/mol:	457.92998
ΔH_f, kcal/mol:	-207.18
Dipole, Da:	3.44
IP(EA), eV:	-8.66(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4-[(2S,3S)-3-(4-bromophenyl)-1,4-dinitrobutan-2-yl]benzene

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](CSC)NC(=O)[C@@H]([C@@H](C)[C@]1(C2=CC=CC=C2N(C1=O)C)O)Br

DOS

IR

Vibrations