Geometry & MOs

Info

ID:	145390
PubChem CID:	53515423
Reduced:	O2N4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	324.089226
ΔH_f, kcal/mol:	-51.48
Dipole, Da:	1.45
IP(EA), eV:	-8.84(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3,4-thiadiazol-2-yl)-3-[(2,4,6-trimethoxyphenyl)methyl]urea

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)NC(=O)NC2=CC=CC3=C2C=CN=C3

DOS

IR

Vibrations