Geometry & MOs

Info

ID:	331058
PubChem CID:	127248465
Reduced:	S2O4N5C19H21 (1)
Stoich.:	A2B4C5D19E21 (1)
Weight, g/mol:	447.103497
ΔH_f, kcal/mol:	-64.95
Dipole, Da:	3.88
IP(EA), eV:	-9.31(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-N-methyl-3-[4-(4-methylthiadiazole-5-carbonyl)morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SN=N1)C(=O)N2CCOC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NCCOC

DOS

IR

Vibrations