Geometry & MOs

Info

ID:	429347
PubChem CID:	135169321
Reduced:	S2H12C15 (1)
Stoich.:	A2B12C15 (1)
Weight, g/mol:	707.332585
ΔH_f, kcal/mol:	77.06
Dipole, Da:	1.78
IP(EA), eV:	-8.21(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[[1-(1,3-benzothiazol-2-yl)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[5-(diaminomethylideneamino)pentanoylamino]pentanediamide

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C/C=C/C=C/C1=C2C(=CC3=C1C=CS3)C=CS2

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C/C=C/C=C/C1=C2C(=CC3=C1C=CS3)C=CS2

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):