Geometry & MOs

Info

ID:	331007
PubChem CID:	127248414
Reduced:	S2O4N5C19H23 (1)
Stoich.:	A2B4C5D19E23 (1)
Weight, g/mol:	428.16306
ΔH_f, kcal/mol:	-90.42
Dipole, Da:	10.77
IP(EA), eV:	-8.81(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-3-[4-[2-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)acetyl]morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1)C)S(=O)(=O)N2CCOC(C2)C3=C(SC4=C3C=CC=N4)C(=O)N(C)C

DOS

IR

Vibrations