Geometry & MOs

Info

ID:

186185

PubChem CID:

77400351

Reduced:

BrSO3C14H15 (1)

Stoich.:

ABC3D14E15 (1)

Weight, g/mol:

884.44324

ΔHf, kcal/mol:

-101.43

Dipole, Da:

2.03

IP(EA), eV:

 -8.69(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[2-[5-[4-[2-[2-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]ethynyl]-2,3-bis(2-methoxyethoxy)phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

C1CC(CSC1)C(=O)OCC(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations