Geometry & MOs

Info

ID:

299605

PubChem CID:

117688128

Reduced:

FN5O5C27H32 (1)

Stoich.:

AB5C5D27E32 (1)

Weight, g/mol:

605.248563

ΔHf, kcal/mol:

-185.0

Dipole, Da:

6.08

IP(EA), eV:

 -8.87(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(4-methylbenzoyl)amino]-3-[[2-[1-phenylmethoxycarbonyloxy-5-[(pyridin-2-ylamino)methyl]pyrrolidin-3-yl]oxyacetyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1)C(=NC=N2)C3=CC(=C(C=C3OCC4CC4)F)OC)C(=O)N[C@H]5CCCN(C5)C(=O)C(C)O

DOS

IR

Vibrations