Geometry & MOs

Info

ID:	365338
PubChem CID:	127317737
Reduced:	SN3O4C19H29 (1)
Stoich.:	AB3C4D19E29 (1)
Weight, g/mol:	374.188881
ΔH_f, kcal/mol:	-173.44
Dipole, Da:	6.77
IP(EA), eV:	-9.25(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)NC(=O)NCC3(CCOC3)C

DOS

IR

Vibrations