Geometry & MOs

Info

ID:	179052
PubChem CID:	76427685
Reduced:	O4H18C21 (1)
Stoich.:	A4B18C21 (1)
Weight, g/mol:	423.088036
ΔH_f, kcal/mol:	-82.33
Dipole, Da:	4.94
IP(EA), eV:	-9.32(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2-chloro-1,3-thiazol-5-yl)methyl]-5-methyl-4-nitroimino-1,3,5-triazinan-1-yl]-3-methylbenzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=CC(=C(CC(=O)O)C(=O)C=CC2=CC=CC=C2)O

DOS

IR

Vibrations