Geometry & MOs

Info

ID:	60836
PubChem CID:	26702541
Reduced:	FN3O4C20H20 (1)
Stoich.:	AB3C4D20E20 (1)
Weight, g/mol:	367.153206
ΔH_f, kcal/mol:	-105.21
Dipole, Da:	1.96
IP(EA), eV:	-8.54(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[(2-methyl-1,3-benzoxazol-5-yl)carbamoyl]phenyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CCC2=NC(=NO2)C3=CC(=C(C=C3)OC)OC)F

DOS

IR

Vibrations