Geometry & MOs

Info

ID:	33525
PubChem CID:	7886832
Reduced:	OS2N4H16C19 (1)
Stoich.:	AB2C4D16E19 (1)
Weight, g/mol:	380.076553
ΔH_f, kcal/mol:	59.62
Dipole, Da:	7.97
IP(EA), eV:	-9.06(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(4-cyanophenyl)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)propanamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=CC=C(C=C1)C#N)SC2=NC=NC3=C2C4=C(S3)CCC4

DOS

IR

Vibrations