Geometry & MOs

Info

ID:	31813
PubChem CID:	3719581
Reduced:	ClN3O3C26H26 (1)
Stoich.:	AB3C3D26E26 (1)
Weight, g/mol:	365.119798
ΔH_f, kcal/mol:	-52.98
Dipole, Da:	8.63
IP(EA), eV:	-8.46(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[3-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]thiourea

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN(CCC2=CNC3=C2C=C(C=C3)OC)C(=O)NC4=CC(=CC=C4)Cl

DOS

IR

Vibrations