Geometry & MOs

Info

ID:	160001
PubChem CID:	57304368
Reduced:	ClSO2C9H9 (1)
Stoich.:	ABC2D9E9 (1)
Weight, g/mol:	578.025227
ΔH_f, kcal/mol:	-80.18
Dipole, Da:	6.43
IP(EA), eV:	-9.22(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-(methoxymethyl)-9-(trifluoromethylsulfonyl)-6-(trifluoromethylsulfonyloxy)pyrido[3,4-b]indole-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(CC(=O)O)Cl)S

DOS

IR

Vibrations