Geometry & MOs

Info

ID:	369003
PubChem CID:	127331107
Reduced:	SN3O3C20H35 (1)
Stoich.:	AB3C3D20E35 (1)
Weight, g/mol:	377.188546
ΔH_f, kcal/mol:	-183.42
Dipole, Da:	5.98
IP(EA), eV:	-8.83(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-1-(pyrazin-2-ylmethyl)-3-[4-(thiomorpholine-4-carbonyl)cyclohexyl]urea

Drug info:

PubChemData

Smile

C1CCCC(CC1)(CNC(=O)NC2CCC(CC2)C(=O)N3CCSCC3)O

DOS

IR

Vibrations