Geometry & MOs

Info

ID:	347444
PubChem CID:	127272293
Reduced:	SO2N3C17H27 (1)
Stoich.:	AB2C3D17E27 (1)
Weight, g/mol:	380.173607
ΔH_f, kcal/mol:	-78.86
Dipole, Da:	4.29
IP(EA), eV:	-9.1(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-3-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]urea

Drug info:

PubChemData

Smile

C1CCC(CC1)OCCNC(=O)N2CCC(CC2)C3=NC=CS3

DOS

IR

Vibrations