Geometry & MOs

Info

ID:	145319
PubChem CID:	53499692
Reduced:	NOC5H7 (3)
Stoich.:	ABC5D7 (3)
Weight, g/mol:	319.07391
ΔH_f, kcal/mol:	-109.55
Dipole, Da:	4.78
IP(EA), eV:	-9.36(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-3-(1,3,4-thiadiazol-2-yl)urea

Drug info:

PubChemData

Smile

CC(C1=CC=CC=N1)NC(=O)C2CC(=O)N(C2)CCOC

DOS

IR

Vibrations