Geometry & MOs

Info

ID:	330859
PubChem CID:	127248266
Reduced:	SN3O3C24H29 (1)
Stoich.:	AB3C3D24E29 (1)
Weight, g/mol:	386.123504
ΔH_f, kcal/mol:	-74.75
Dipole, Da:	4.23
IP(EA), eV:	-8.63(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-3-[1-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1)CN2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)N)COC

DOS

IR

Vibrations