Geometry & MOs

Info

ID:	16752
PubChem CID:	476351
Reduced:	SN2O4C11H11 (2)
Stoich.:	AB2C4D11E11 (2)
Weight, g/mol:	534.087906
ΔH_f, kcal/mol:	-314.18
Dipole, Da:	4.23
IP(EA), eV:	-8.74(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-amino-2-[[2-[[2-[[(1S)-3-amino-1-carboxy-3-oxopropyl]carbamoyl]phenyl]disulfanyl]benzoyl]amino]-4-oxobutanoic 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=C(C(=C1)C(=O)N[C@@H](CC(=O)N)C(=O)O)SSC2=CC=CC=C2C(=O)N[C@@H](CC(=O)N)C(=O)O

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=C(C(=C1)C(=O)N[C@@H](CC(=O)N)C(=O)O)SSC2=CC=CC=C2C(=O)N[C@@H](CC(=O)N)C(=O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):