Geometry & MOs

Info

ID:	33500
PubChem CID:	7886751
Reduced:	OS2N3C21H21 (1)
Stoich.:	AB2C3D21E21 (1)
Weight, g/mol:	378.118418
ΔH_f, kcal/mol:	24.76
Dipole, Da:	2.75
IP(EA), eV:	-8.6(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylbutylcarbamoyl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)acetamide

Drug info:

PubChemData

Smile

C[C@H]1CC2=CC=CC=C2N1C(=O)[C@@H](C)SC3=NC=NC4=C3C5=C(S4)CCC5

DOS

IR

Vibrations