Geometry & MOs

Info

ID:	133391
PubChem CID:	51519683
Reduced:	N2O2C9H12 (2)
Stoich.:	A2B2C9D12 (2)
Weight, g/mol:	359.17193
ΔH_f, kcal/mol:	-166.18
Dipole, Da:	3.46
IP(EA), eV:	-8.91(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2R)-2-[[2-(tert-butylamino)-2-oxoethyl]carbamoylamino]-3-(1H-indol-3-yl)propanoate

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)CNC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O

DOS

IR

Vibrations