Geometry & MOs

Info

ID:	58405
PubChem CID:	24698223
Reduced:	NO4C12H13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	236.098334
ΔH_f, kcal/mol:	-122.17
Dipole, Da:	2.77
IP(EA), eV:	-9.77(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-carbamothioyl-N,N-diethylbenzamide

Drug info:

PubChemData

Smile

C=CCNC(=O)COC1=CC=CC(=C1)C(=O)O

DOS

IR

Vibrations