Geometry & MOs

Info

ID:

317306

PubChem CID:

126635495

Reduced:

ClOS2N3C15H20 (1)

Stoich.:

ABC2D3E15F20 (1)

Weight, g/mol:

1079.620811

ΔHf, kcal/mol:

-4.68

Dipole, Da:

7.37

IP(EA), eV:

 -8.44(-1.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-4-[[4-[[4-[[[[(2S)-2-(methylamino)propanoyl]amino]-[2-(1,2,3,4-tetrahydronaphthalen-1-ylcarbamoyl)cyclohexanecarbonyl]amino]methyl]phenoxy]methyl]benzoyl]amino]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(/C(=C(/NC(=S)C1=CN=CC=C1)\Cl)/C)C(=O)CCSC

DOS

IR

Vibrations