Geometry & MOs

Info

ID:	124328
PubChem CID:	50878770
Reduced:	ClN2O3C16H19 (1)
Stoich.:	AB2C3D16E19 (1)
Weight, g/mol:	382.109962
ΔH_f, kcal/mol:	-108.4
Dipole, Da:	4.26
IP(EA), eV:	-8.8(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-N-(4-methyl-6-nitro-1,3-benzothiazol-2-yl)-1,3-benzoxazol-2-amine

Drug info:

PubChemData

Smile

C1COCCN1CC2=CC=C(C=C2)N3CC(CC3=O)C(=O)Cl

DOS

IR

Vibrations