Geometry & MOs

Info

ID:	330995
PubChem CID:	127248402
Reduced:	SN3O3C24H29 (1)
Stoich.:	AB3C3D24E29 (1)
Weight, g/mol:	447.172896
ΔH_f, kcal/mol:	-70.01
Dipole, Da:	2.02
IP(EA), eV:	-8.73(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-3-[4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)CN2CCOC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NC(C)C)OC

DOS

IR

Vibrations