Geometry & MOs

Info

ID:	381136
PubChem CID:	134971787
Reduced:	N2C31H32 (1)
Stoich.:	A2B31C32 (1)
Weight, g/mol:	309.118735
ΔH_f, kcal/mol:	101.77
Dipole, Da:	2.21
IP(EA), eV:	-8.48(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,5S)-4-methyl-5-phenyl-2-[(E)-3-phenylprop-2-enyl]sulfanyl-4,5-dihydro-1,3-oxazole

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1)N2CN([C@@H]([C@H]2C3=CC=CC=C3)C4=CC=CC=C4)[C@H](C)C5=CC=CC=C5

DOS

IR

Vibrations