Geometry & MOs

Info

ID:	382612
PubChem CID:	134973876
Reduced:	BrNSO6C22H28 (1)
Stoich.:	ABCD6E22F28 (1)
Weight, g/mol:	592.12427
ΔH_f, kcal/mol:	-214.75
Dipole, Da:	4.08
IP(EA), eV:	-8.54(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[[benzenesulfonyl-[(2S)-1-ethoxy-3-methyl-1-oxobutan-2-yl]amino]methyl]-3-bromoindole-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](C(C)C)N(CC1=CC(=C(C=C1Br)OC)OC)S(=O)(=O)C2=CC=CC=C2

DOS

IR

Vibrations