Geometry & MOs

Info

ID:	54356
PubChem CID:	17111974
Reduced:	ClN2O4C25H33 (1)
Stoich.:	AB2C4D25E33 (1)
Weight, g/mol:	493.12269
ΔH_f, kcal/mol:	-143.56
Dipole, Da:	4.51
IP(EA), eV:	-8.25(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-methoxy-N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]methylcarbamothioyl]benzamide

Drug info:

PubChemData

Smile

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=CC(=C(C=C2)N3CCC(CC3)C)Cl

DOS

IR

Vibrations