Geometry & MOs

Info

ID:

379349

PubChem CID:

134419113

Reduced:

NC23H29 (1)

Stoich.:

AB23C29 (1)

Weight, g/mol:

986.397216

ΔHf, kcal/mol:

-11.85

Dipole, Da:

2.44

IP(EA), eV:

 -8.25(0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-[2-[3-[2-[(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidin-2-yl]-1,3-thiazole-4-carbonyl]phenoxy]ethoxy]ethoxy]ethyl]-3-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N)C2CCC3=C(C2)C=CC4=C3CCC(C4)(C)C

DOS

IR

Vibrations