Geometry & MOs

Info

ID:	43798
PubChem CID:	10321806
Reduced:	ClS2N3O4C19H22 (1)
Stoich.:	AB2C3D4E19F22 (1)
Weight, g/mol:	455.146801
ΔH_f, kcal/mol:	-135.61
Dipole, Da:	4.13
IP(EA), eV:	-8.93(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

copper;2-[[2-(2-aminopropanoylamino)-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)CN2CCC[C@@H](C2=O)NS(=O)(=O)C3=CC4=C(S3)C=CC(=C4)Cl

DOS

IR

Vibrations