Geometry & MOs

Info

ID:	310983
PubChem CID:	126588691
Reduced:	NSO2C20H25 (1)
Stoich.:	ABC2D20E25 (1)
Weight, g/mol:	379.141756
ΔH_f, kcal/mol:	-59.48
Dipole, Da:	4.02
IP(EA), eV:	-8.68(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-ethyl N-[3-(difluoromethyl)-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamothioate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations