Geometry & MOs

Info

ID:

191756

PubChem CID:

78184865

Reduced:

ClSN5O6C33H54 (1)

Stoich.:

ABC5D6E33F54 (1)

Weight, g/mol:

695.389414

ΔHf, kcal/mol:

-278.43

Dipole, Da:

7.84

IP(EA), eV:

 -8.07(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 1-[3-[[4-amino-2-[[4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-oxobutanoyl]amino]-2-hydroxy-4-phenylbutyl]pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)Cl.CC(CCCN)NC1=C2C(=CC(=C1)OC)C=CC=N2

DOS

IR

Vibrations