Geometry & MOs

Info

ID:	33543
PubChem CID:	7886926
Reduced:	OS2N3C20H21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	294.04967
ΔH_f, kcal/mol:	27.22
Dipole, Da:	4.21
IP(EA), eV:	-8.66(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-(7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-12-ylsulfanyl)propanoate

Drug info:

PubChemData

Smile

CC(C)N(C1=CC=CC=C1)C(=O)CSC2=NC=NC3=C2C4=C(S3)CCC4

DOS

IR

Vibrations