Geometry & MOs

Info

ID:	365376
PubChem CID:	127317775
Reduced:	N3O4C20H21 (1)
Stoich.:	A3B4C20D21 (1)
Weight, g/mol:	349.182398
ΔH_f, kcal/mol:	-127.35
Dipole, Da:	6.56
IP(EA), eV:	-8.16(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-methyloxolan-3-yl)methyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=C1C=CC(=C2)NC(=O)NC3=CC4=C(C=C3)OC(O4)(C)C

DOS

IR

Vibrations