Geometry & MOs

Info

ID:	33768
PubChem CID:	7888027
Reduced:	O2S2N3C20H21 (1)
Stoich.:	A2B2C3D20E21 (1)
Weight, g/mol:	399.107519
ΔH_f, kcal/mol:	-17.89
Dipole, Da:	5.47
IP(EA), eV:	-8.41(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=C(C3=C(S2)CCC3)C(=N1)S[C@@H](C)C(=O)NC4=CC=CC=C4OC

DOS

IR

Vibrations