Geometry & MOs

Info

ID:	330982
PubChem CID:	127248389
Reduced:	SN3O4C23H27 (1)
Stoich.:	AB3C4D23E27 (1)
Weight, g/mol:	435.057503
ΔH_f, kcal/mol:	-106.64
Dipole, Da:	4.93
IP(EA), eV:	-8.65(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(2,3-dichlorophenyl)methyl]morpholin-2-yl]-N-methylthieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations