Geometry & MOs

Info

ID:	150505
PubChem CID:	53790197
Reduced:	ClNSF3O4H15C18 (1)
Stoich.:	ABCD3E4F15G18 (1)
Weight, g/mol:	599.318163
ΔH_f, kcal/mol:	-215.99
Dipole, Da:	2.23
IP(EA), eV:	-10.02(-1.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-methyl-6-propan-2-yloxy-4-(2-pyrrolidin-1-ylethoxy)-2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]phenyl]-1-benzothiophen-3-amine

Drug info:

PubChemData

Smile

CC(C)C(C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-])C(=O)S

DOS

IR

Vibrations