Geometry & MOs

Info

ID:

83122

PubChem CID:

49857175

Reduced:

O4N9H41C44 (1)

Stoich.:

A4B9C41D44 (1)

Weight, g/mol:

738.327816

ΔHf, kcal/mol:

22.28

Dipole, Da:

8.53

IP(EA), eV:

 -8.84(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-(N-[(2S)-2-[6-[4-[2-[(2S)-1-(oxolane-2-carbonyl)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=NC=C9

DOS

IR

Vibrations