Geometry & MOs

Info

ID:	173309
PubChem CID:	75622277
Reduced:	NSO2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	390.093523
ΔH_f, kcal/mol:	-19.48
Dipole, Da:	3.52
IP(EA), eV:	-9.05(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1,3-dimethyl-2,4-dioxo-5H-pyrimidin-1-ium-5-sulfonamide

Drug info:

PubChemData

Smile

CCC1C2=C(CCN1C(=O)C=CC3=CC=CO3)SC=C2

DOS

IR

Vibrations