Geometry & MOs

Info

ID:	346176
PubChem CID:	127270667
Reduced:	O2S2N3C17H29 (1)
Stoich.:	A2B2C3D17E29 (1)
Weight, g/mol:	394.240248
ΔH_f, kcal/mol:	-113.64
Dipole, Da:	6.64
IP(EA), eV:	-8.8(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclopropylmethyl)-N-[4-(thiomorpholine-4-carbonyl)cyclohexyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCSC1)C(=O)NC2CCC(CC2)C(=O)N3CCSCC3

DOS

IR

Vibrations