Geometry & MOs

Info

ID:

163795

PubChem CID:

74380313

Reduced:

O3N7C33H33 (1)

Stoich.:

A3B7C33D33 (1)

Weight, g/mol:

742.335998

ΔHf, kcal/mol:

-10.82

Dipole, Da:

2.56

IP(EA), eV:

 -8.9(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[2-cyclohexyl-2-(2,2-dimethylpropoxycarbonylamino)acetyl]-5-[[1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]carbamoyl]pyrrolidin-3-yl] 1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxylate

Drug info:

PubChemData

Smile

C1CCN(C1)CCN2CC3=C(CC(C2=O)NC(=O)C4=CC5=C(CC6(C5)C7=C(NC6=O)N=CC=C7)C=C4)C=CC8=C3C=NN8

DOS

IR

Vibrations