Geometry & MOs

Info

ID:	330814
PubChem CID:	127248221
Reduced:	SO2N3C21H29 (1)
Stoich.:	AB2C3D21E29 (1)
Weight, g/mol:	413.213698
ΔH_f, kcal/mol:	-68.26
Dipole, Da:	4.25
IP(EA), eV:	-8.89(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[1-(cyclohexylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

C1CCC(CC1)CN2CCC(C2)C3=C(SC4=C3C=CC=N4)C(=O)NCCO

DOS

IR

Vibrations