Geometry & MOs

Info

ID:	196194
PubChem CID:	78794487
Reduced:	N3O5C17H17 (1)
Stoich.:	A3B5C17D17 (1)
Weight, g/mol:	365.096476
ΔH_f, kcal/mol:	-83.38
Dipole, Da:	7.61
IP(EA), eV:	-9.49(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-1-(2,6-dimethylmorpholin-4-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2CC(=O)N(C2)CC3=CC=CO3

DOS

IR

Vibrations