Geometry & MOs

Info

ID:	33504
PubChem CID:	7886773
Reduced:	N2O2S2H18C21 (1)
Stoich.:	A2B2C2D18E21 (1)
Weight, g/mol:	381.121237
ΔH_f, kcal/mol:	-3.13
Dipole, Da:	3.59
IP(EA), eV:	-8.83(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CSC3=NC=NC4=C3C5=C(S4)CCC5)C

DOS

IR

Vibrations