Geometry & MOs

Info

ID:

308504

PubChem CID:

125333279

Reduced:

FOSN8H17C19 (1)

Stoich.:

ABCD8E17F19 (1)

Weight, g/mol:

529.253648

ΔHf, kcal/mol:

97.09

Dipole, Da:

2.16

IP(EA), eV:

 -9.2(-1.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

benzyl (2R)-2-[(2R)-2-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-5-oxopyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)CSC2=NN=C(N2N)C3=NN=C(C3)C4=CC=C(C=C4)F

DOS

IR

Vibrations