Geometry & MOs

Info

ID:

435008

PubChem CID:

135177324

Reduced:

FN4O4C20H24 (2)

Stoich.:

AB4C4D20E24 (2)

Weight, g/mol:

752.40729

ΔHf, kcal/mol:

-367.72

Dipole, Da:

5.16

IP(EA), eV:

 -8.82(-1.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[4-[[1-[1-benzyl-4-(2,5-difluorophenyl)pyrrol-2-yl]-2,2-dimethylpropyl]-(2-hydroxyacetyl)amino]-1-oxo-1-(propan-2-ylamino)butan-2-yl]-2-(3-methylbutanoylamino)butanediamide

Drug info:

PubChemData

Smile

CC(C)(C)C(C1=CC(=CN1CC2=CC=CC=C2)C3=C(C=CC(=C3)F)F)N(CCC(C(=O)NCCNC(=O)CN4C(=O)C=CC4=O)NC(=O)[C@H](CC(=O)N)N)C(=O)CO

DOS

IR

Vibrations