Geometry & MOs

Info

ID:	64483
PubChem CID:	29201461
Reduced:	N3O4H17C18 (1)
Stoich.:	A3B4C17D18 (1)
Weight, g/mol:	382.094705
ΔH_f, kcal/mol:	-52.31
Dipole, Da:	11.85
IP(EA), eV:	-9.06(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-(4-methyl-3-nitrophenyl)propanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)N3CCCC3=O)[N+](=O)[O-]

DOS

IR

Vibrations