Geometry & MOs

Info

ID:	339875
PubChem CID:	127261884
Reduced:	N2S2O4C9H11 (2)
Stoich.:	A2B2C4D9E11 (2)
Weight, g/mol:	684.040593
ΔH_f, kcal/mol:	-291.32
Dipole, Da:	11.06
IP(EA), eV:	-9.16(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[[(2R)-2-[bis(5-chloro-3-methyl-1-oxo-3,4-dihydroisochromene-7-carbonyl)amino]-2-carboxyethyl]disulfanyl]propanoic acid

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

C1=CC(=CC=C1N)S(=O)(=O)N([C@@H](CSSCC(C(=O)O)N)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)N

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

C1=CC(=CC=C1N)S(=O)(=O)N([C@@H](CSSCC(C(=O)O)N)C(=O)O)S(=O)(=O)C2=CC=C(C=C2)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):