Geometry & MOs

Info

ID:	174683
PubChem CID:	75806458
Reduced:	N3O4C18H20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	386.0923
ΔH_f, kcal/mol:	-108.3
Dipole, Da:	4.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.763367
Charge, e:	-1

Chem-info

IUPAC name:

2-(2,5-dioxo-3,4-dihydro-1H-1,4-benzodiazepin-3-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]ethanimidate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)[O-])NC(=O)CN1C(=O)C=CC(=N1)C2=CC=CC=C2

DOS

IR

Vibrations