Geometry & MOs

Info

ID:	64427
PubChem CID:	29200462
Reduced:	ClN2O2S3H11C12 (1)
Stoich.:	AB2C2D3E11F12 (1)
Weight, g/mol:	297.147727
ΔH_f, kcal/mol:	-10.03
Dipole, Da:	2.91
IP(EA), eV:	-8.77(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-4-[(carbamoylamino)methyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC)SC1=NN(C(=S)S1)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations