Geometry & MOs

Info

ID:	187225
PubChem CID:	77546980
Reduced:	S2O5N6C25H32 (1)
Stoich.:	A2B5C6D25E32 (1)
Weight, g/mol:	437.169703
ΔH_f, kcal/mol:	-152.87
Dipole, Da:	3.3
IP(EA), eV:	-8.95(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,4-difluoro-3-hydroxy-4-phenylbut-1-enyl)-1-[4-(1-methyltetrazol-5-yl)sulfanylbutyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2=CC3=CN=C(N=C3N(C2=O)C4CCN(C4)S(=O)(=O)C)NC5CCN(CC5)S(=O)(=O)C

DOS

IR

Vibrations