Geometry & MOs

Info

ID:	133390
PubChem CID:	51519574
Reduced:	FN4O4H18C20 (1)
Stoich.:	AB4C4D18E20 (1)
Weight, g/mol:	360.179755
ΔH_f, kcal/mol:	-138.3
Dipole, Da:	7.1
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.105372
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]-3-(1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)[O-])NC(=O)NCC(=O)NC3=CC=CC=C3F

DOS

IR

Vibrations