Geometry & MOs

Info

ID:	36123
PubChem CID:	7980790
Reduced:	NSO4H19C23 (1)
Stoich.:	ABC4D19E23 (1)
Weight, g/mol:	417.168856
ΔH_f, kcal/mol:	-59.96
Dipole, Da:	4.87
IP(EA), eV:	-8.65(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(2,4-dimethylphenyl)carbamoylamino]-2-oxoethoxy]-N-phenylbenzamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OC)C2=NC(=CS2)COC(=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations