Geometry & MOs

Info

ID:	440746
PubChem CID:	135231282
Reduced:	SO3N4C16H20 (1)
Stoich.:	AB3C4D16E20 (1)
Weight, g/mol:	378.115047
ΔH_f, kcal/mol:	-53.35
Dipole, Da:	3.9
IP(EA), eV:	-8.55(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3H-1,2-benzoxazol-2-ylsulfanyl)phenyl]-3-(pyridin-4-ylmethyl)urea

Drug info:

PubChemData

Smile

COCCNS(=O)C1=CC=C(C=C1)NC(=O)NCC2=CC=NC=C2

DOS

IR

Vibrations