Geometry & MOs

Info

ID:

186419

PubChem CID:

77429208

Reduced:

O2F3N6C21H23 (1)

Stoich.:

A2B3C6D21E23 (1)

Weight, g/mol:

565.110806

ΔHf, kcal/mol:

-183.41

Dipole, Da:

2.41

IP(EA), eV:

 -8.33(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[1-[4-[[3-[(2-chlorophenyl)methyl]-2,3-dihydrothiophen-5-yl]methylamino]-2,3-dihydroxy-4-oxobutanoyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1CN(CCN1C2=NC=C(C=C2)C(F)(F)F)C(=O)CNC3=CC4=C(C=C3)NC(=O)N4C

DOS

IR

Vibrations