Geometry & MOs

Info

ID:	414110
PubChem CID:	135087064
Reduced:	O3H18C22 (1)
Stoich.:	A3B18C22 (1)
Weight, g/mol:	469.167142
ΔH_f, kcal/mol:	-41.32
Dipole, Da:	3.46
IP(EA), eV:	-9.41(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[(2R)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-sulfanylpropanoate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(C(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3

DOS

IR

Vibrations