Geometry & MOs

Info

ID:	149076
PubChem CID:	53788747
Reduced:	SN2O4H20C24 (1)
Stoich.:	AB2C4D20E24 (1)
Weight, g/mol:	263.01571
ΔH_f, kcal/mol:	-69.37
Dipole, Da:	6.21
IP(EA), eV:	-8.94(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-acetamido-3-bromoprop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C=CC2=C(C(=O)N3C(=C(SC3=N2)C(=O)O)C4=CC=C(C=C4)OC)C

DOS

IR

Vibrations