Geometry & MOs

Info

ID:

299619

PubChem CID:

117688181

Reduced:

SN2O7C23H26 (1)

Stoich.:

AB2C7D23E26 (1)

Weight, g/mol:

634.275112

ΔHf, kcal/mol:

-195.15

Dipole, Da:

6.89

IP(EA), eV:

 -8.98(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(C1=CC(=NO1)C2=CC=CC=C2OC)O)(CNC(=O)C3=CC=CC=C3O)S(=O)(=O)C

DOS

IR

Vibrations