Geometry & MOs

Info

ID:

299896

PubChem CID:

117863772

Reduced:

N3S3H39C67 (1)

Stoich.:

A3B3C39D67 (1)

Weight, g/mol:

514.189545

ΔHf, kcal/mol:

314.69

Dipole, Da:

1.75

IP(EA), eV:

 -8.01(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-tert-butyl-3-[[5-[2-(2-chloro-5-fluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]carbamoyl]azetidine-1-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC3=C(S2)C=C4C(=C3)N(C5=C4C=C(C=C5)C6=CC7=C(C=C6)N(C8=CC=CC=C87)C9=CC=CC(=C9)C1=CC2=C(C=C1)SC1=CC=CC=C12)C1=CC=CC(=C1)C1=CC2=C(C=C1)SC1=CC=CC=C12

DOS

IR

Vibrations