Geometry & MOs

Info

ID:	150882
PubChem CID:	53790579
Reduced:	ClO2N3C21H24 (1)
Stoich.:	AB2C3D21E24 (1)
Weight, g/mol:	418.200491
ΔH_f, kcal/mol:	-29.34
Dipole, Da:	3.89
IP(EA), eV:	-8.68(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoate

Drug info:

PubChemData

Smile

CC(C)(C(C1=C2C=CC(=CC2=NC=C1)Cl)N)NCC3=CC(=C(C=C3)O)OC

DOS

IR

Vibrations