Geometry & MOs

Info

ID:	195583
PubChem CID:	78704291
Reduced:	OSN3C18H30 (1)
Stoich.:	ABC3D18E30 (1)
Weight, g/mol:	413.115775
ΔH_f, kcal/mol:	-31.39
Dipole, Da:	2.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.784706
Charge, e:	0

Chem-info

IUPAC name:

1-(3-ethylphenyl)-3-[4-methyl-4-(4-nitrophenyl)-2,5-dioxoimidazolidin-1-yl]thiourea

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=S)NCC2C[NH+](CCO2)CC(C)C

DOS

IR

Vibrations