Geometry & MOs

Info

ID:	352096
PubChem CID:	127283164
Reduced:	ClN3O3C19H28 (1)
Stoich.:	AB3C3D19E28 (1)
Weight, g/mol:	385.203528
ΔH_f, kcal/mol:	-125.84
Dipole, Da:	3.32
IP(EA), eV:	-9.2(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-hydroxyoxan-4-yl)methyl]-3-[4-(thiomorpholine-4-carbonyl)cyclohexyl]urea

Drug info:

PubChemData

Smile

CC1(CN(CCO1)CCNC(=O)N2CCOC(C2)C3=CC=CC=C3Cl)C

DOS

IR

Vibrations