Geometry & MOs

Info

ID:	311029
PubChem CID:	126588855
Reduced:	INSO2C19H22 (1)
Stoich.:	ABCD2E19F22 (1)
Weight, g/mol:	379.141756
ΔH_f, kcal/mol:	-40.23
Dipole, Da:	2.34
IP(EA), eV:	-8.2(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-methyl N-[3-(difluoromethyl)-2-[(4-ethyl-2,5-dimethylphenoxy)methyl]phenyl]carbamothioate

Drug info:

PubChemData

Smile

CCC1=C(C=C(C(=C1)C)OCC2=C(C=CC=C2I)NC(=O)SC)C

DOS

IR

Vibrations