Geometry & MOs

Info

ID:	358110
PubChem CID:	127295655
Reduced:	FO2N4C21H29 (1)
Stoich.:	AB2C4D21E29 (1)
Weight, g/mol:	323.166748
ΔH_f, kcal/mol:	-91.75
Dipole, Da:	4.22
IP(EA), eV:	-9.03(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-(oxan-3-ylmethyl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C(=C1)NC(=O)N(C)CC2CCCOC2)C3=CC=C(C=C3)F

DOS

IR

Vibrations