Geometry & MOs

Info

ID:	185526
PubChem CID:	77310493
Reduced:	FSCl2O2N5C20H24 (1)
Stoich.:	ABC2D2E5F20G24 (1)
Weight, g/mol:	801.306883
ΔH_f, kcal/mol:	-84.19
Dipole, Da:	3.35
IP(EA), eV:	-8.8(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

copper;6-amino-2-[[2-[(2-amino-3-hydroxypropanoyl)amino]-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoate

Drug info:

PubChemData

Smile

CC(C)NC1=NC=CC(=C1)C2=NN=C(S2)C3=CC(=C(C=C3Cl)OCC(C(C)O)N)F.Cl

DOS

IR

Vibrations