Geometry & MOs

Info

ID:	405680
PubChem CID:	135074994
Reduced:	SN3O6C22H27 (1)
Stoich.:	AB3C6D22E27 (1)
Weight, g/mol:	360.136159
ΔH_f, kcal/mol:	-155.69
Dipole, Da:	6.12
IP(EA), eV:	-9.95(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-3-[2-(2-cyclopropylethynyl)phenyl]-2-(4-methoxybenzoyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C(CC=C1CC1)(CC2=CN(N=N2)S(=O)(=O)C3=CC=C(C=C3)C)C(=O)OCC

DOS

IR

Vibrations