Geometry & MOs

Info

ID:	302453
PubChem CID:	124361804
Reduced:	N2O3H18C19 (1)
Stoich.:	A2B3C18D19 (1)
Weight, g/mol:	469.133924
ΔH_f, kcal/mol:	-21.11
Dipole, Da:	3.58
IP(EA), eV:	-8.95(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1R)-1-[6-(4-chlorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-3-yl]-2-phenylethyl]carbamate

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)/C=N\NC(=O)[C@@H]3C[C@H]3C4=CC=CC=C4

DOS

IR

Vibrations