Geometry & MOs

Info

ID:	138472
PubChem CID:	52370579
Reduced:	OF3N6C16H22 (1)
Stoich.:	AB3C6D16E22 (1)
Weight, g/mol:	376.156912
ΔH_f, kcal/mol:	-129.02
Dipole, Da:	4.24
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.798257
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(dimethylamino)phenyl]methyl]-3-[(1R)-1-(3-sulfamoylphenyl)ethyl]urea

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC(F)(F)F)C)C[NH+](C)CC2=NC(=NC(=N2)N)N

DOS

IR

Vibrations