Geometry & MOs

Info

ID:	43714
PubChem CID:	10321686
Reduced:	S2N3O3C23H23 (1)
Stoich.:	A2B3C3D23E23 (1)
Weight, g/mol:	453.19715
ΔH_f, kcal/mol:	-55.53
Dipole, Da:	2.5
IP(EA), eV:	-8.49(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[tert-butyl(dimethyl)silyl]oxy-3-(4-methoxyphenyl)-2-(4-methyl-3-nitrophenyl)cyclopent-2-en-1-one

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)N(C)CCOC2=CC=C(C=C2)CC3C(=O)NC(=O)S3)C4=CC=CC=C4

DOS

IR

Vibrations