Geometry & MOs

Info

ID:	418154
PubChem CID:	135103722
Reduced:	SN2O3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	360.071468
ΔH_f, kcal/mol:	-85.44
Dipole, Da:	2.56
IP(EA), eV:	-9.12(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)-2-methylsulfanyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@@H](CC[C@@H]1O)C(=O)NCC2=CSC(=N2)C3=CC=CC=C3

DOS

IR

Vibrations