Geometry & MOs

Info

ID:	310806
PubChem CID:	126587618
Reduced:	NSO2C19H23 (1)
Stoich.:	ABC2D19E23 (1)
Weight, g/mol:	365.126106
ΔH_f, kcal/mol:	-50.16
Dipole, Da:	2.42
IP(EA), eV:	-8.73(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-methyl N-[2-(difluoromethyl)-6-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamothioate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=CC=CC(=C2NC(=S)OC)C)C

DOS

IR

Vibrations