Geometry & MOs

Info

ID:	311081
PubChem CID:	126589241
Reduced:	NSO2C21H27 (1)
Stoich.:	ABC2D21E27 (1)
Weight, g/mol:	359.155515
ΔH_f, kcal/mol:	-63.71
Dipole, Da:	4.6
IP(EA), eV:	-8.65(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-methyl N-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]carbamothioate

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)NC(=S)OC)COC2=CC(=C(C=C2C)CC)C

DOS

IR

Vibrations