Geometry & MOs

Info

ID:	45119
PubChem CID:	10508169
Reduced:	Cl2O2N5H31C35 (1)
Stoich.:	A2B2C5D31E35 (1)
Weight, g/mol:	624.181138
ΔH_f, kcal/mol:	31.67
Dipole, Da:	0.84
IP(EA), eV:	-8.54(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-[(3,4-dimethoxybenzoyl)amino]-3-[[(2R)-2-[(3,4-dimethoxybenzoyl)amino]-3-ethoxy-3-oxopropyl]disulfanyl]propanoate

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

CN(CCCNC(=O)C1=CC=CC2=CC3=C(C=CC=C3Cl)N=C21)CCCNC(=O)C4=CC=CC5=CC6=C(C=CC=C6Cl)N=C54

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

CN(CCCNC(=O)C1=CC=CC2=CC3=C(C=CC=C3Cl)N=C21)CCCNC(=O)C4=CC=CC5=CC6=C(C=CC=C6Cl)N=C54

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):