Geometry & MOs

Info

ID:	330785
PubChem CID:	127248192
Reduced:	SO3N6C21H26 (1)
Stoich.:	AB3C6D21E26 (1)
Weight, g/mol:	439.167811
ΔH_f, kcal/mol:	-48.43
Dipole, Da:	2.45
IP(EA), eV:	-9.23(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[3-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoyl]pyrrolidin-3-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NN(C(=N1)C)CC(=O)N2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NCCOC

DOS

IR

Vibrations