Geometry & MOs

Info

ID:	371042
PubChem CID:	127342223
Reduced:	O2N3C17H29 (1)
Stoich.:	A2B3C17D29 (1)
Weight, g/mol:	378.208947
ΔH_f, kcal/mol:	-124.84
Dipole, Da:	4.49
IP(EA), eV:	-9.7(1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[(3-morpholin-4-ylthiolan-3-yl)methyl]-1-(1-pyridin-4-ylpropyl)urea

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)CCNC(=O)NC2CC3CCC2C3

DOS

IR

Vibrations