Geometry & MOs

Info

ID:	27147
PubChem CID:	815726
Reduced:	NS2O3H13C15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	314.108899
ΔH_f, kcal/mol:	-45.52
Dipole, Da:	4.65
IP(EA), eV:	-8.68(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-methoxyphenyl)carbamothioyl]-3,4-dimethylbenzamide

Drug info:

PubChemData

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C1CS[C@@H](N1C(=O)C2=CC=CS2)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations