Geometry & MOs

Info

ID:

53715

PubChem CID:

14717796

Reduced:

SN6O8C35H46 (1)

Stoich.:

AB6C8D35E46 (1)

Weight, g/mol:

710.309784

ΔHf, kcal/mol:

-323.39

Dipole, Da:

3.59

IP(EA), eV:

 -8.66(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-(2,2-dimethylpropoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)COC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)N

DOS

IR

Vibrations