Geometry & MOs

Info

ID:	195703
PubChem CID:	78724870
Reduced:	ClN2O4C22H25 (1)
Stoich.:	AB2C4D22E25 (1)
Weight, g/mol:	293.119798
ΔH_f, kcal/mol:	-161.27
Dipole, Da:	3.09
IP(EA), eV:	-9.08(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)thiourea

Drug info:

PubChemData

Smile

CC(C)C(C(=O)OC(C)C(=O)NC1=CC=CC=C1Cl)NC(=O)CC2=CC=CC=C2

DOS

IR

Vibrations