Geometry & MOs

Info

ID:	218837
PubChem CID:	85090048
Reduced:	BrNSO6C23H24 (1)
Stoich.:	ABCD6E23F24 (1)
Weight, g/mol:	515.133839
ΔH_f, kcal/mol:	-187.76
Dipole, Da:	3.84
IP(EA), eV:	-9.17(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylamino]-3-oxopropyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide;formic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C(SCC2=O)C3=COC4C(C3=O)C(C5C=COC5C4OC)OC)Br

DOS

IR

Vibrations