Geometry & MOs

Info

ID:	318959
PubChem CID:	126653875
Reduced:	SO2N7C29H29 (1)
Stoich.:	AB2C7D29E29 (1)
Weight, g/mol:	447.22704
ΔH_f, kcal/mol:	56.13
Dipole, Da:	4.8
IP(EA), eV:	-8.12(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[3-acetyl-5-(2-tert-butylpyrazolo[1,5-a]pyrimidin-6-yl)indazol-1-yl]acetate

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)NC(=O)[C@@H]2C3CCC(C3)N2CCN4C=C(C5=C4C=CC(=C5)C6=NNC7=C6SC=C7)C(=O)N

DOS

IR

Vibrations