Geometry & MOs

Info

ID:	363537
PubChem CID:	127311616
Reduced:	O2N5C22H31 (1)
Stoich.:	A2B5C22D31 (1)
Weight, g/mol:	335.133734
ΔH_f, kcal/mol:	-39.69
Dipole, Da:	4.08
IP(EA), eV:	-8.69(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,2-dimethylcyclopropyl)methyl]-3-(2-thiomorpholin-4-ylsulfonylethyl)urea

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=N2)N3CCN(CC3)C(=O)NC4CCN(CC4)CC(=C)C

DOS

IR

Vibrations