Geometry & MOs

Info

ID:	896
PubChem CID:	3497
Reduced:	N3O4C27H33 (1)
Stoich.:	A3B4C27D33 (1)
Weight, g/mol:	463.247107
ΔH_f, kcal/mol:	-155.83
Dipole, Da:	7.51
IP(EA), eV:	-8.64(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(1H-indol-3-yl)-1-oxo-1-(1-phenylethylamino)propan-2-yl]carbamoyl]-5-methylhexanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(CC(=O)O)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(C)C3=CC=CC=C3

DOS

IR

Vibrations