Geometry & MOs

Info

ID:

328462

PubChem CID:

126723133

Reduced:

SN4O8C41H46 (1)

Stoich.:

AB4C8D41E46 (1)

Weight, g/mol:

440.184189

ΔHf, kcal/mol:

-288.87

Dipole, Da:

10.64

IP(EA), eV:

 -9.01(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[(2S)-2,3-diamino-3-oxopropyl]phenyl] N-[4-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-3-(methylamino)-4-oxobutyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)OC(=O)NCCCC(=O)N[C@@H](CSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C(=O)N)C(=O)O

DOS

IR

Vibrations