Geometry & MOs

Info

ID:	169524
PubChem CID:	75117209
Reduced:	ClOSN3H16C18 (1)
Stoich.:	ABCD3E16F18 (1)
Weight, g/mol:	490.170848
ΔH_f, kcal/mol:	46.86
Dipole, Da:	6.82
IP(EA), eV:	-8.16(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[(3-phenylpyrazolidin-4-yl)methyl]-2-pyrrolidin-1-ylsulfonyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)NC2=NC(=O)C(=CC3=CC=C(C=C3)Cl)S2

DOS

IR

Vibrations