Geometry & MOs

Info

ID:	310814
PubChem CID:	126587691
Reduced:	OC38H56 (1)
Stoich.:	AB38C56 (1)
Weight, g/mol:	379.02416
ΔH_f, kcal/mol:	104.95
Dipole, Da:	2.64
IP(EA), eV:	-6.18(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-methyl N-[2-[(2-bromo-4-ethylphenoxy)methyl]phenyl]carbamothioate

Drug info:

PubChemData

Smile

CC1CCC2(C3CCC4C5CCCC5(CCC4C3(CCC2C1(C)C)C)C(=C6CCC6)OCC7=CC=CC=C7)C

DOS

IR

Vibrations