Geometry & MOs

Info

ID:

189981

PubChem CID:

77936086

Reduced:

S2N9O10C40H63 (1)

Stoich.:

A2B9C10D40E63 (1)

Weight, g/mol:

756.447538

ΔHf, kcal/mol:

-438.99

Dipole, Da:

5.75

IP(EA), eV:

 -8.9(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-(diethylamino)-2-phenylacetyl]-N-[6-[4-[2-[1-(2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)C1CN(C2C1N(CC2)C(=O)C(CCCCC(C(=O)N3CCC4C3C(CN4S(=O)(=O)C)C(=O)NC5=CC=CC=C5)NC(=O)C(C)NC)NC(=O)C(C)NC)S(=O)(=O)C

DOS

IR

Vibrations