Geometry & MOs

Info

ID:	191871
PubChem CID:	78195866
Reduced:	FN3O5C27H32 (1)
Stoich.:	AB3C5D27E32 (1)
Weight, g/mol:	487.190734
ΔH_f, kcal/mol:	-223.22
Dipole, Da:	1.88
IP(EA), eV:	-8.67(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(benzylamino)-4-[[1-[(4-fluorophenyl)methyl]indole-2-carbonyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OCC(C(=O)NCCC1=CC(=C(C=C1)O)O)NC(=O)C2=CC=CN2CC3=CC=C(C=C3)F

DOS

IR

Vibrations