Geometry & MOs

Info

ID:	328342
PubChem CID:	126700754
Reduced:	ClS2O3N6C18H23 (1)
Stoich.:	AB2C3D6E18F23 (1)
Weight, g/mol:	398.03784
ΔH_f, kcal/mol:	-33.33
Dipole, Da:	4.11
IP(EA), eV:	-9.03(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(6-bromo-9-oxa-1,3-diazatricyclo[6.4.1.04,13]trideca-2,4(13),5,7-tetraen-2-yl)-7-methyl-1,3-benzoxazol-2-amine

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1C(N=C(S1)CNC2=NC3=CN=C(N=C3N(C2=O)[C@@H](C)C4CC4)Cl)C

DOS

IR

Vibrations