Geometry & MOs

Info

ID:	330918
PubChem CID:	127248325
Reduced:	O2S2N5C21H25 (1)
Stoich.:	A2B2C5D21E25 (1)
Weight, g/mol:	426.136176
ΔH_f, kcal/mol:	-9.62
Dipole, Da:	4.89
IP(EA), eV:	-9.08(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)pyrrolidin-3-yl]-N-(2-hydroxyethyl)thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)N2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NCCN(C)C

DOS

IR

Vibrations