Geometry & MOs

Info

ID:

181838

PubChem CID:

76801580

Reduced:

NSO3C35H47 (1)

Stoich.:

ABC3D35E47 (1)

Weight, g/mol:

766.416631

ΔHf, kcal/mol:

-85.92

Dipole, Da:

5.48

IP(EA), eV:

 -8.17(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[2-[5-[4-[4-[2-[1-[4-(dimethylamino)-2-(methoxycarbonylamino)butanoyl]pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxopentan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCN1C2=C(C=C(C=C2)C3=CC=C(S3)C(C)(C)C)C(C1=CC4=C(C(=O)C4=O)O)(C)C

DOS

IR

Vibrations