Geometry & MOs

Info

ID:	330795
PubChem CID:	127248202
Reduced:	SN4O4C22H24 (1)
Stoich.:	AB4C4D22E24 (1)
Weight, g/mol:	442.167477
ΔH_f, kcal/mol:	-103.07
Dipole, Da:	3.68
IP(EA), eV:	-9.18(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C=CC1=O)C(=O)N2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NCCOC

DOS

IR

Vibrations