Geometry & MOs

Info

ID:	406539
PubChem CID:	135078008
Reduced:	NSO2C19H27 (1)
Stoich.:	ABC2D19E27 (1)
Weight, g/mol:	461.205836
ΔH_f, kcal/mol:	-64.54
Dipole, Da:	5.45
IP(EA), eV:	-9.36(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-(cyclopropylmethyl)-13-(1,3-dithian-2-yl)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-10,13-diol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NCC2(CCCC2)C/C=C/C(=C)C

DOS

IR

Vibrations