Geometry & MOs

Info

ID:

219885

PubChem CID:

85165007

Reduced:

PSN2O7C31H37 (1)

Stoich.:

ABC2D7E31F37 (1)

Weight, g/mol:

612.327148

ΔHf, kcal/mol:

-302.27

Dipole, Da:

6.23

IP(EA), eV:

 -8.91(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[2-methyl-2-[[1-[3-(3-methylimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CSCCC(NC(=O)OCC1=CC=CC=C1)P(=O)(CC(CC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O)O

DOS

IR

Vibrations