Geometry & MOs

Info

ID:	330808
PubChem CID:	127248215
Reduced:	SO3N4C19H26 (1)
Stoich.:	AB3C4D19E26 (1)
Weight, g/mol:	438.183795
ΔH_f, kcal/mol:	-83.89
Dipole, Da:	4.58
IP(EA), eV:	-9.05(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)CCNC(=O)C1=C(C2=C(S1)N=CC=C2)C3CCN(C3)C(=O)COC

DOS

IR

Vibrations