Geometry & MOs

Info

ID:	330923
PubChem CID:	127248330
Reduced:	SO3N6C21H24 (1)
Stoich.:	AB3C6D21E24 (1)
Weight, g/mol:	447.209282
ΔH_f, kcal/mol:	-42.8
Dipole, Da:	2.24
IP(EA), eV:	-9.04(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C=N1)C(=O)N2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NCCO

DOS

IR

Vibrations