Geometry & MOs

Info

ID:

36544

PubChem CID:

8008191

Reduced:

NO2H21C23 (1)

Stoich.:

AB2C21D23 (1)

Weight, g/mol:

600.201811

ΔHf, kcal/mol:

-16.32

Dipole, Da:

2.33

IP(EA), eV:

 -8.92(0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (6S)-6-tert-butyl-2-[[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Drug info:

PubChemData

Smile

C1COC2=CC=CC=C2[C@H]1NC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations