Geometry & MOs

Info

ID:	354596
PubChem CID:	127287213
Reduced:	SO2N5C15H21 (1)
Stoich.:	AB2C5D15E21 (1)
Weight, g/mol:	303.104148
ΔH_f, kcal/mol:	-15.82
Dipole, Da:	3.24
IP(EA), eV:	-9.34(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(4-methyl-1,3-thiazol-5-yl)methyl]urea

Drug info:

PubChemData

Smile

CC1=C(SC=N1)CNC(=O)N2CCCC(C2)CC3=NOC(=N3)C

DOS

IR

Vibrations