Geometry & MOs

Info

ID:	330898
PubChem CID:	127248305
Reduced:	SO2N6C22H26 (1)
Stoich.:	AB2C6D22E26 (1)
Weight, g/mol:	414.208947
ΔH_f, kcal/mol:	0.75
Dipole, Da:	4.75
IP(EA), eV:	-9.05(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrrolidin-3-yl]-N,N-dimethylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations