Geometry & MOs

Info

ID:	43107
PubChem CID:	10318579
Reduced:	SN4O5C17H24 (1)
Stoich.:	AB4C5D17E24 (1)
Weight, g/mol:	396.13953
ΔH_f, kcal/mol:	-174.57
Dipole, Da:	10.15
IP(EA), eV:	-9.16(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-tert-butyl-4-methylsulfonyl-5-phenyl-2-[(E)-2-phenylethenyl]furan-3-one

Drug info:

PubChemData

Smile

C[C@H]([C@@H]1C2[C@H](C(=C(N2C1=O)C(=O)O)SCCC#N)CCNC(=O)[C@H](C)N)O

DOS

IR

Vibrations