Geometry & MOs

Info

ID:	330819
PubChem CID:	127248226
Reduced:	SO2N3C24H29 (1)
Stoich.:	AB2C3D24E29 (1)
Weight, g/mol:	400.156912
ΔH_f, kcal/mol:	-25.92
Dipole, Da:	3.53
IP(EA), eV:	-8.85(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-[2-(2-oxoazepan-1-yl)acetyl]pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCCN2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)N(C)C

DOS

IR

Vibrations