Geometry & MOs

Info

ID:	382481
PubChem CID:	134973675
Reduced:	BrNO4C16H24 (1)
Stoich.:	ABC4D16E24 (1)
Weight, g/mol:	452.13107
ΔH_f, kcal/mol:	-161.2
Dipole, Da:	2.27
IP(EA), eV:	-8.57(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-bromo-2-[[[(2S)-1-methoxy-3-methyl-1-oxopentan-2-yl]amino]methyl]indole-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](C(C)C)NCC1=CC(=C(C=C1Br)OC)OC

DOS

IR

Vibrations