Geometry & MOs

Info

ID:

82912

PubChem CID:

49856785

Reduced:

O4N8H42C45 (1)

Stoich.:

A4B8C42D45 (1)

Weight, g/mol:

722.332902

ΔHf, kcal/mol:

8.14

Dipole, Da:

6.93

IP(EA), eV:

 -8.96(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-(N-[(2S)-2-[6-[4-[2-[(2S)-1-(2-cyclopropylacetyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]pyrrolidine-1-carbonyl]anilino)carbamate

Drug info:

PubChemData

Smile

COC(=O)NN(C1=CC=CC=C1)C(=O)N2CCC[C@H]2C3=NC4=C(N3)C=C(C=C4)C5=CC=C(C=C5)C6=CC7=C(C=C6)N=C(N7)[C@@H]8CCCN8C(=O)CC9=CC=CC=C9

DOS

IR

Vibrations