Geometry & MOs

Info

ID:	330844
PubChem CID:	127248251
Reduced:	SO2N3C25H29 (1)
Stoich.:	AB2C3D25E29 (1)
Weight, g/mol:	427.204196
ΔH_f, kcal/mol:	-29.07
Dipole, Da:	4.28
IP(EA), eV:	-8.88(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]pyrrolidin-3-yl]-N-(2-hydroxyethyl)thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CN2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)N5CCOCC5)C

DOS

IR

Vibrations