Geometry & MOs

Info

ID:	297898
PubChem CID:	117636431
Reduced:	FOC4H7 (6)
Stoich.:	ABC4D7 (6)
Weight, g/mol:	662.262165
ΔH_f, kcal/mol:	-631.12
Dipole, Da:	5.49
IP(EA), eV:	-9.46(1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4,11,17,20,25,28-hexaoxa-1,14-diazatricyclo[12.8.8.05,10]triaconta-5(10),6,8-trien-7-ylcarbamothioylamino)phthalic acid

Drug info:

PubChemData

Smile

CC1(COCC(COCC(COCC(COC1)(C)COCC(F)(F)F)(C)C)(C)COCC(F)(F)F)C

DOS

IR

Vibrations