Geometry & MOs

Info

ID:	363645
PubChem CID:	127311746
Reduced:	O2N3C18H27 (1)
Stoich.:	A2B3C18D27 (1)
Weight, g/mol:	303.161663
ΔH_f, kcal/mol:	-85.35
Dipole, Da:	4.29
IP(EA), eV:	-8.91(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4-hydroxyoxan-4-yl)methyl]-3-(2-thiomorpholin-4-ylethyl)urea

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)O)NC(=O)N2CCC(C2)N3CCCCC3

DOS

IR

Vibrations