Geometry & MOs

Info

ID:	121279
PubChem CID:	50761501
Reduced:	SO2N3H17C18 (1)
Stoich.:	AB2C3D17E18 (1)
Weight, g/mol:	413.152161
ΔH_f, kcal/mol:	-5.72
Dipole, Da:	5.53
IP(EA), eV:	-8.18(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(8-butyl-7-oxo-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-12-yl)-N-[(5-methylfuran-2-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC2=NC(=C(S2)C(=O)C3=CC=CC=C3OC)N

DOS

IR

Vibrations