Geometry & MOs

Info

ID:	302197
PubChem CID:	124360334
Reduced:	SN3O3C21H27 (1)
Stoich.:	AB3C3D21E27 (1)
Weight, g/mol:	340.122321
ΔH_f, kcal/mol:	-125.01
Dipole, Da:	3.51
IP(EA), eV:	-9.1(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(5-fluoro-1-methylindole-2-carbonyl)amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCCCC1)NC(=O)[C@H]2C(S[C@@H]3N2C(=O)C4=CC=CC=C34)(C)C

DOS

IR

Vibrations