Geometry & MOs

Info

ID:	48646
PubChem CID:	11110236
Reduced:	NSH17C22 (1)
Stoich.:	ABC17D22 (1)
Weight, g/mol:	327.12907
ΔH_f, kcal/mol:	105.23
Dipole, Da:	3.31
IP(EA), eV:	-7.85(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-2-phenyl-4-pyrrol-1-yl-4-trimethylsilyloxycyclobut-2-en-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/C2=C(C3=CC=CC=C3N2)SC4=CC=CC=C4

DOS

IR

Vibrations