Geometry & MOs

Info

ID:	444745
PubChem CID:	135263411
Reduced:	SN3O4C33H43 (1)
Stoich.:	AB3C4D33E43 (1)
Weight, g/mol:	379.04192
ΔH_f, kcal/mol:	-128.45
Dipole, Da:	7.36
IP(EA), eV:	-8.13(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[2-[(4-bromo-2-methylphenoxy)methyl]-3-methoxyphenyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CCC2=C(OC=C2)CNC(=O)CC3=CC=C(C=C3)N4CCC(CC4)S(=O)(=O)C)N5CCCCC5

DOS

IR

Vibrations