Geometry & MOs

Info

ID:	143641
PubChem CID:	53241279
Reduced:	BrNSO6C23H26 (1)
Stoich.:	ABCD6E23F26 (1)
Weight, g/mol:	512.06167
ΔH_f, kcal/mol:	-193.29
Dipole, Da:	1.46
IP(EA), eV:	-9.06(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2-bromophenyl)sulfonyl-[(2-methylpropan-2-yl)oxycarbonyl]amino] 2-[4-(dimethylamino)phenyl]acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(OC(=O)C1(CCCC1)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3Br

DOS

IR

Vibrations