Geometry & MOs

Info

ID:

80376

PubChem CID:

49834215

Reduced:

Cl2F3O5N8H33C37 (1)

Stoich.:

A2B3C5D8E33F37 (1)

Weight, g/mol:

752.182935

ΔHf, kcal/mol:

-214.25

Dipole, Da:

8.59

IP(EA), eV:

 -9.25(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R)-5-[(4-cyanophenyl)methyl]-7-(3,5-dichloro-4-fluorophenyl)-N-[(2S)-1-[[1-[6-[4-(hydroxymethyl)phenyl]pyridazin-3-yl]cyclopropyl]amino]-1-oxopropan-2-yl]-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C(=O)NC1(CC1)C2=NC=C(C=C2)C3=CN(N=C3)C)NC(=O)C4=CN=C5N4[C@](C(=O)N5C6=CC(=CC(=C6)Cl)Cl)(C)CC7=CC=C(C=C7)OC(F)(F)F)O

DOS

IR

Vibrations