Geometry & MOs

Info

ID:	208989
PubChem CID:	80609800
Reduced:	SN2O3C15H22 (1)
Stoich.:	AB2C3D15E22 (1)
Weight, g/mol:	307.171834
ΔH_f, kcal/mol:	-140.3
Dipole, Da:	6.67
IP(EA), eV:	-8.56(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[1-(methylamino)ethyl]phenyl]-3-(thian-2-ylmethyl)urea

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=O)N1CC2CCCCS2)C)CCC(=O)O

DOS

IR

Vibrations