Geometry & MOs

Info

ID:	303387
PubChem CID:	124489625
Reduced:	SN2O2C8H12 (1)
Stoich.:	AB2C2D8E12 (1)
Weight, g/mol:	336.183778
ΔH_f, kcal/mol:	-62.5
Dipole, Da:	4.23
IP(EA), eV:	-8.53(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,12R,19R)-12-ethyl-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,9,13-pentaene-10-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC)S(=O)(=O)N

DOS

IR

Vibrations