Geometry & MOs

Info

ID:	157910
PubChem CID:	56458963
Reduced:	F2O2N7H15C22 (1)
Stoich.:	A2B2C7D15E22 (1)
Weight, g/mol:	450.094409
ΔH_f, kcal/mol:	38.39
Dipole, Da:	6.08
IP(EA), eV:	-9.94(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-2-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=CC(=N2)C3=CC=C(C=C3)F)C(=O)NC4=C(C=CC(=C4)N5C(=NN=N5)C)F

DOS

IR

Vibrations