Geometry & MOs

Info

ID:

448122

PubChem CID:

135288634

Reduced:

Cl2O4N6H20C25 (1)

Stoich.:

A2B4C6D20E25 (1)

Weight, g/mol:

1195.580997

ΔHf, kcal/mol:

-35.12

Dipole, Da:

3.83

IP(EA), eV:

 -9.76(-1.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]-N-[4-[[6-[2-[2-[2-[3-[[1-[(3S,4R)-3-hydroxy-4-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylcarbamoyl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-6-oxohexyl]carbamoyl]cyclohexyl]thieno[3,2-b]pyrrole-5-carboxamide

Drug info:

PubChemData

Smile

C1COC(=O)C1NC(=O)C(CC2=CC=CC=C2)N3C=NC(=CC3=O)C4=C(C=CC(=C4)Cl)N5C=C(N=N5)Cl

DOS

IR

Vibrations