Geometry & MOs

Info

ID:	347375
PubChem CID:	127272224
Reduced:	N2O4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	343.135448
ΔH_f, kcal/mol:	-119.37
Dipole, Da:	1.49
IP(EA), eV:	-8.79(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)urea

Drug info:

PubChemData

Smile

C1[C@H]([C@H](C2=CC=CC=C21)NC(=O)NCC3COC4=CC=CC=C4O3)O

DOS

IR

Vibrations