Geometry & MOs

Info

ID:	27854
PubChem CID:	823926
Reduced:	SN2O4C17H18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	298.113984
ΔH_f, kcal/mol:	-109.44
Dipole, Da:	3.82
IP(EA), eV:	-8.79(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3,5-dimethylphenyl)carbamothioyl]-2-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)O)NC(=S)NC(=O)COC2=CC=C(C=C2)OC

DOS

IR

Vibrations