Geometry & MOs

Info

ID:	330971
PubChem CID:	127248378
Reduced:	SN3O3C21H29 (1)
Stoich.:	AB3C3D21E29 (1)
Weight, g/mol:	429.208613
ΔH_f, kcal/mol:	-104.12
Dipole, Da:	2.37
IP(EA), eV:	-8.58(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[4-(cyclohexylmethyl)morpholin-2-yl]thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

C1CCC(CC1)CN2CCOC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NCCO

DOS

IR

Vibrations