Geometry & MOs

Info

ID:

191090

PubChem CID:

78103013

Reduced:

PCl2N3O4C64H102 (1)

Stoich.:

AB2C3D4E64F102 (1)

Weight, g/mol:

495.236936

ΔHf, kcal/mol:

-256.53

Dipole, Da:

6.48

IP(EA), eV:

 -8.06(0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 1-[2-[methyl-[2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=C)CCN1CCN(CC1)P(=O)(N(CCCl)CCCl)OCC=CC2=CC(=C(C=C2)OC)OC)C)C)C)C)C)C)C)C

DOS

IR

Vibrations