Geometry & MOs

Info

ID:	263353
PubChem CID:	103358754
Reduced:	SO2N4C14H18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	294.115047
ΔH_f, kcal/mol:	-49.09
Dipole, Da:	4.17
IP(EA), eV:	-8.43(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-amino-1,3-dimethylthieno[2,3-c]pyrazol-5-yl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC1=C(N=NC2=C1C(=C(S2)C(=O)N3CCC(C3)(C)O)N)C

DOS

IR

Vibrations