Geometry & MOs

Info

ID:	243040
PubChem CID:	99215241
Reduced:	FS2N3O3C21H26 (1)
Stoich.:	AB2C3D3E21F26 (1)
Weight, g/mol:	422.223038
ΔH_f, kcal/mol:	-120.51
Dipole, Da:	4.8
IP(EA), eV:	-8.29(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[[(3R)-1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide

Drug info:

PubChemData

Smile

C1CCN([C@@H](C1)C(=O)NC[C@@H]2CCN(C2)C3=CC=C(C=C3)F)S(=O)(=O)C4=CC=CS4

DOS

IR

Vibrations