Geometry & MOs

Info

ID:	161712
PubChem CID:	57392404
Reduced:	ClSO2N3C16H24 (1)
Stoich.:	ABC2D3E16F24 (1)
Weight, g/mol:	475.246251
ΔH_f, kcal/mol:	-112.91
Dipole, Da:	6.61
IP(EA), eV:	-9.14(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-N-[2-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-2-methylpropyl]-7-methylpyrazolo[1,5-a]pyrimidine-6-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

CC1(CCCN(C1)CC(=O)NC2=NC3=C(S2)C(=O)CCC3)C.Cl

DOS

IR

Vibrations