Geometry & MOs

Info

ID:

299603

PubChem CID:

117688123

Reduced:

ClF2N3S3O4H18C23 (1)

Stoich.:

AB2C3D3E4F18G23 (1)

Weight, g/mol:

557.248563

ΔHf, kcal/mol:

-121.78

Dipole, Da:

10.92

IP(EA), eV:

 -8.81(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(2-methylpropanoylamino)-3-[[2-[1-phenylmethoxycarbonyloxy-5-[(pyridin-2-ylamino)methyl]pyrrolidin-3-yl]oxyacetyl]amino]propanoic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CN(C2=NN=CS2)S(=O)(=O)C3=CC(=C(C=C3F)SC4=CC=CC=C4F)Cl)OC

DOS

IR

Vibrations