Geometry & MOs

Info

ID:	32066
PubChem CID:	4265947
Reduced:	ClNS2O4H26C28 (1)
Stoich.:	ABC2D4E26F28 (1)
Weight, g/mol:	427.05315
ΔH_f, kcal/mol:	-65.16
Dipole, Da:	4.81
IP(EA), eV:	-8.65(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[[3-bromo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]urea

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)OCCCOC2=C(C=C(C=C2Cl)C=C3C(=O)N(C(=S)S3)C4=CC=CC=C4)OC)C

DOS

IR

Vibrations