Geometry & MOs

Info

ID:	219032
PubChem CID:	85090391
Reduced:	NSF2O5C29H29 (1)
Stoich.:	ABC2D5E29F29 (1)
Weight, g/mol:	541.257671
ΔH_f, kcal/mol:	-258.56
Dipole, Da:	3.75
IP(EA), eV:	-9.1(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3-(1H-indol-3-yl)-2-[[4-methyl-2-(phenylmethoxycarbamoyl)pentanoyl]amino]propanoate

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)F)F)C(CSC(=O)C)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations