Geometry & MOs

Info

ID:	195343
PubChem CID:	78675748
Reduced:	S2N3O3C18H21 (1)
Stoich.:	A2B3C3D18E21 (1)
Weight, g/mol:	357.136493
ΔH_f, kcal/mol:	-38.56
Dipole, Da:	6.57
IP(EA), eV:	-8.75(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-oxo-3-(2-phenylanilino)prop-1-enyl]benzoate

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)CC(O2)C)C=CC(=O)NC3=NN=C(S3)SCC

DOS

IR

Vibrations