Geometry & MOs

Info

ID:

229856

PubChem CID:

87569373

Reduced:

ClSO4N5C24H33 (1)

Stoich.:

ABC4D5E24F33 (1)

Weight, g/mol:

1022.367984

ΔHf, kcal/mol:

-56.99

Dipole, Da:

5.48

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.759211

Charge, e:

 0

Chem-info

IUPAC name:

[1-amino-3-(1-carbamoyl-9-ethylcarbazol-3-yl)-3-imidazol-1-ylpropyl] 3-[[3-(1-carbamoyl-9-ethylcarbazol-3-yl)-3-imidazol-1-ylpropyl]carbamoyl]-4-thiophen-2-ylsulfonylpiperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C(=O)N(CC[C@@H](C)N2CCC(CC2)N(CC3=CSC=C3)C(=O)NOC)[O-])C)Cl

DOS

IR

Vibrations