Geometry & MOs

Info

ID:	33772
PubChem CID:	7888036
Reduced:	OS2N3C18H23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	413.086784
ΔH_f, kcal/mol:	-17.85
Dipole, Da:	4.0
IP(EA), eV:	-8.43(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-[2-[(10-methyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-yl)sulfanyl]acetyl]benzamide

Drug info:

PubChemData

Smile

CC1=NC2=C(C3=C(S2)CCC3)C(=N1)S[C@H](C)C(=O)N4CCCCC4

DOS

IR

Vibrations