Geometry & MOs

Info

ID:	414953
PubChem CID:	135087933
Reduced:	ClNSO4C16H22 (1)
Stoich.:	ABCD4E16F22 (1)
Weight, g/mol:	439.221954
ΔH_f, kcal/mol:	-176.14
Dipole, Da:	6.67
IP(EA), eV:	-9.53(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(21S,25S)-21-hydroxy-8-oxa-1,11,12,13,18-pentazapentacyclo[16.5.3.24,7.111,14.021,25]nonacosa-4,6,12,14(27),28-pentaene-2,17-dione

Drug info:

PubChemData

Smile

CC1(CCOC2(C1)CCN(CC2)S(=O)(=O)C3=CC=CC=C3Cl)O

DOS

IR

Vibrations