Geometry & MOs

Info

ID:	140498
PubChem CID:	52710057
Reduced:	N3O3C25H29 (1)
Stoich.:	A3B3C25D29 (1)
Weight, g/mol:	438.141342
ΔH_f, kcal/mol:	-55.64
Dipole, Da:	1.93
IP(EA), eV:	-9.0(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(R)-cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]urea

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1OC2=NC=C(C=C2)CNC(=O)N[C@@H](C)CCC3=CC=CC=C3

DOS

IR

Vibrations