Geometry & MOs

Info

ID:	68722
PubChem CID:	46508979
Reduced:	SO2N3C25H29 (1)
Stoich.:	AB2C3D25E29 (1)
Weight, g/mol:	497.044834
ΔH_f, kcal/mol:	-36.42
Dipole, Da:	3.34
IP(EA), eV:	-8.4(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-[(2-chloro-4-nitrobenzoyl)amino]benzoate

Drug info:

PubChemData

Smile

CC1=C(N(C(=N1)SC(C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)C(=O)C)CC(C)C)C

DOS

IR

Vibrations