Geometry & MOs

Info

ID:	121562
PubChem CID:	50773491
Reduced:	ClSN2O3H15C18 (1)
Stoich.:	ABC2D3E15F18 (1)
Weight, g/mol:	402.044106
ΔH_f, kcal/mol:	-46.48
Dipole, Da:	2.68
IP(EA), eV:	-8.79(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]sulfanyl]acetyl]amino]benzoate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)NC(=O)CSC2=NC=C(O2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations