Geometry & MOs

Info

ID:	307705
PubChem CID:	125308274
Reduced:	ClN3O3H16C19 (1)
Stoich.:	AB3C3D16E19 (1)
Weight, g/mol:	456.156433
ΔH_f, kcal/mol:	-19.16
Dipole, Da:	4.62
IP(EA), eV:	-9.64(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[[(3R)-4-[(2-aminoacetyl)amino]-3-(4-chlorophenyl)butanoyl]amino]-3-(2H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CO[C@H]2C=NC(=CC2=O)C(=O)NCC3=CC=NC=C3)Cl

DOS

IR

Vibrations