Geometry & MOs

Info

ID:	406923
PubChem CID:	135078940
Reduced:	OSH12C13 (1)
Stoich.:	ABC12D13 (1)
Weight, g/mol:	349.243706
ΔH_f, kcal/mol:	22.31
Dipole, Da:	2.6
IP(EA), eV:	-8.29(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (E)-3-[1-tri(propan-2-yl)silylpyrrol-3-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SC\2=CC=C/C2=C\O

DOS

IR

Vibrations