Geometry & MOs

Info

ID:	174748
PubChem CID:	75809773
Reduced:	N2O2S2C17H23 (1)
Stoich.:	A2B2C2D17E23 (1)
Weight, g/mol:	393.216475
ΔH_f, kcal/mol:	-7.03
Dipole, Da:	5.42
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.760080
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(dimethylamino)phenyl]methyl]-3-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]urea

Drug info:

PubChemData

Smile

CCC(CNS(=O)(=O)C1=CC=CS1)[NH+]2CCC3=CC=CC=C3C2

DOS

IR

Vibrations