Geometry & MOs

Info

ID:	341866
PubChem CID:	127264559
Reduced:	N2O5C20H26 (1)
Stoich.:	A2B5C20D26 (1)
Weight, g/mol:	460.215078
ΔH_f, kcal/mol:	-220.3
Dipole, Da:	1.78
IP(EA), eV:	-8.78(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-3-(1H-indol-3-yl)-2-(tritylamino)propanoate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](CC1=CN(C2=CC=CC=C21)C(=O)OC(C)(C)C)NC(=O)C

DOS

IR

Vibrations