Geometry & MOs

Info

ID:	189566
PubChem CID:	77874237
Reduced:	SN3O7C23H25 (1)
Stoich.:	AB3C7D23E25 (1)
Weight, g/mol:	352.142307
ΔH_f, kcal/mol:	-248.65
Dipole, Da:	6.43
IP(EA), eV:	-8.96(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyanopropan-2-yl 3-[4-[3-(2-cyanopropan-2-yloxy)-3-oxoprop-1-enyl]phenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)N)C(=O)O)C.C1=CC=C(C(=C1)C(=O)O)O

DOS

IR

Vibrations