Geometry & MOs

Info

ID:	123331
PubChem CID:	50842633
Reduced:	N5O5H21C22 (1)
Stoich.:	A5B5C21D22 (1)
Weight, g/mol:	475.087178
ΔH_f, kcal/mol:	-83.35
Dipole, Da:	7.95
IP(EA), eV:	-8.4(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(E)-2-[5-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)thiophen-2-yl]ethenyl]-3-methyl-1,2-oxazol-4-yl]propanamide

Drug info:

PubChemData

Smile

CC1=NC(=NO1)C2=CC3=C(C=C2)N(C(=O)N3CC(=O)NC4=CC5=C(C=C4)OCO5)C(C)C

DOS

IR

Vibrations