Geometry & MOs

Info

ID:	123086
PubChem CID:	50832261
Reduced:	O2N4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	478.053625
ΔH_f, kcal/mol:	-18.18
Dipole, Da:	4.38
IP(EA), eV:	-8.16(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(benzenesulfonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(5-chloro-2-methoxyphenyl)urea

Drug info:

PubChemData

Smile

C1CCC(=CC1)CCNC(=O)CCC2=NC(=NO2)C3=CC=C(C=C3)N4CCCC4

DOS

IR

Vibrations