Geometry & MOs

Info

ID:	305991
PubChem CID:	124999916
Reduced:	SN4O4C11H18 (1)
Stoich.:	AB4C4D11E18 (1)
Weight, g/mol:	446.177647
ΔH_f, kcal/mol:	-130.57
Dipole, Da:	8.03
IP(EA), eV:	-9.59(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(3R)-1-(1H-indol-5-ylmethyl)pyrrolidin-3-yl]thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CC1=NC(=O)C=C(N1)[C@H]2CN(CCO2)S(=O)(=O)N(C)C

DOS

IR

Vibrations