Geometry & MOs

Info

ID:	38307
PubChem CID:	8029793
Reduced:	O2N5C21H28 (1)
Stoich.:	A2B5C21D28 (1)
Weight, g/mol:	324.114378
ΔH_f, kcal/mol:	-24.02
Dipole, Da:	3.72
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754682
Charge, e:	0

Chem-info

IUPAC name:

4-(3-hydroxypropyl)-6,12,12-trimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-diene-3,5-dione

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCC2(CC1)C3=C(CC[NH2+]2)NC=N3)NC(=O)CC4=CC=CC=C4

DOS

IR

Vibrations