Geometry & MOs

Info

ID:

299600

PubChem CID:

117688105

Reduced:

SF3N5O9C33H38 (1)

Stoich.:

AB3C5D9E33F38 (1)

Weight, g/mol:

619.264213

ΔHf, kcal/mol:

-455.11

Dipole, Da:

11.07

IP(EA), eV:

 -9.06(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(CNC(=O)COC2CC(N(C2)OC(=O)OCC3=CC=CC=C3)CNC4=NC=C(C=C4)C(F)(F)F)C(=O)O)C

DOS

IR

Vibrations