Geometry & MOs

Info

ID:	381497
PubChem CID:	134972254
Reduced:	O5C22H26 (1)
Stoich.:	A5B22C26 (1)
Weight, g/mol:	688.03551
ΔH_f, kcal/mol:	-208.14
Dipole, Da:	6.55
IP(EA), eV:	-9.0(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1R)-1-(1-acetyl-6-bromoindol-3-yl)-2-[[2-(1-acetyl-6-bromoindol-3-yl)-2-oxoacetyl]amino]ethyl]carbamate

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)C2=C(C=C3C(=C2)C=CC=C3O)[C@@]([C@@]1(C(=O)O)O)(C)CCC(C)C

DOS

IR

Vibrations