Geometry & MOs

Info

ID:	310954
PubChem CID:	126588598
Reduced:	NSO2C21H27 (1)
Stoich.:	ABC2D21E27 (1)
Weight, g/mol:	359.155515
ΔH_f, kcal/mol:	-72.39
Dipole, Da:	1.68
IP(EA), eV:	-8.88(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

S-methyl N-[5-ethoxy-2-[(4-ethyl-2-methylphenoxy)methyl]phenyl]carbamothioate

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)OCC2=C(C=C(C=C2)C(C)C)NC(=O)SC)C

DOS

IR

Vibrations