Geometry & MOs

Info

ID:

190042

PubChem CID:

77944067

Reduced:

O4N9C45H47 (1)

Stoich.:

A4B9C45D47 (1)

Weight, g/mol:

779.390751

ΔHf, kcal/mol:

-40.15

Dipole, Da:

4.06

IP(EA), eV:

 -8.59(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[2-[2-[5-[4-[5-[2-[1-[2-(dimethylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]pyridin-2-yl]phenyl]-4,5-dihydro-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate

Drug info:

PubChemData

Smile

CC(=O)NC(C1=CC=CC=C1)C(=O)N2CCCC2C3=NCC(N3)C4=CC=C(C=C4)C5=NC=C(C=C5)C6=CN=C(N6)C7CCCN7C(=O)C(C8=CC=CC=C8)NC(=O)C

DOS

IR

Vibrations