Geometry & MOs

Info

ID:	391782
PubChem CID:	135009501
Reduced:	SN2O3C16H21 (1)
Stoich.:	AB2C3D16E21 (1)
Weight, g/mol:	407.184506
ΔH_f, kcal/mol:	-108.75
Dipole, Da:	6.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754571
Charge, e:	0

Chem-info

IUPAC name:

(1S,12R)-12-[2,3-dimethoxy-4-(methylamino)phenyl]-5,15-diazatetracyclo[10.3.1.01,5.06,11]hexadeca-6,8,10-triene-4,16-dione

Drug info:

PubChemData

Smile

CC(=O)N1[C@@H](CC2(C1NC3=CC=CC=C32)[S+](C)C)C(=O)OC

DOS

IR

Vibrations