Geometry & MOs

Info

ID:	16635
PubChem CID:	474077
Reduced:	SCl2O2N4C22H24 (1)
Stoich.:	AB2C2D4E22F24 (1)
Weight, g/mol:	478.099703
ΔH_f, kcal/mol:	-57.19
Dipole, Da:	5.27
IP(EA), eV:	-8.57(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(2-aminophenyl)methyl]-5-(3,5-dichlorophenyl)sulfanyl-4-propan-2-ylimidazol-2-yl]ethyl carbamate

Drug info:

PubChemData

Smile

CC(C)C1=C(N(C(=N1)CCOC(=O)N)CC2=CC=CC=C2N)SC3=CC(=CC(=C3)Cl)Cl

DOS

IR

Vibrations