Geometry & MOs

Info

ID:	362603
PubChem CID:	127308374
Reduced:	ON5C21H37 (1)
Stoich.:	AB5C21D37 (1)
Weight, g/mol:	394.203862
ΔH_f, kcal/mol:	-53.84
Dipole, Da:	5.33
IP(EA), eV:	-8.5(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(cyclobutylmethyl)-1-methyl-3-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]urea

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C(=C1)NC(=O)N2CCCC2CN3CCCC3)C(C)(C)C

DOS

IR

Vibrations