Geometry & MOs

Info

ID:	175145
PubChem CID:	75861449
Reduced:	SN3O4C16H22 (1)
Stoich.:	AB3C4D16E22 (1)
Weight, g/mol:	348.23995
ΔH_f, kcal/mol:	-138.72
Dipole, Da:	2.04
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.103492
Charge, e:	1

Chem-info

IUPAC name:

1-[3-(2,2-dimethylpropyl)-1,2-oxazol-5-yl]-3-[1-(1H-imidazol-3-ium-3-yl)-3,3-dimethylbutan-2-yl]urea

Drug info:

PubChemData

Smile

CCN1CC(CC1=O)C(=O)NC(C)C2=CC(=CC=C2)[N-]S(=O)(=O)C

DOS

IR

Vibrations