Geometry & MOs

Info

ID:	244368
PubChem CID:	99344318
Reduced:	Br2N2O4H14C15 (1)
Stoich.:	A2B2C4D14E15 (1)
Weight, g/mol:	470.268176
ΔH_f, kcal/mol:	-71.65
Dipole, Da:	2.86
IP(EA), eV:	-9.74(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-cyclopropyl-2-[[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]amino]ethyl]-2-(2,5-dimethyl-1H-indol-3-yl)acetamide

Drug info:

PubChemData

Smile

C1CC1[C@@H](CNC(=O)C2=COC(=C2)Br)NC(=O)C3=COC(=C3)Br

DOS

IR

Vibrations