Geometry & MOs

Info

ID:	33495
PubChem CID:	7886730
Reduced:	N2S2O3H16C17 (1)
Stoich.:	A2B2C3D16E17 (1)
Weight, g/mol:	369.096955
ΔH_f, kcal/mol:	-51.08
Dipole, Da:	2.2
IP(EA), eV:	-8.74(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-benzyl-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

CC1=C(C=C(O1)CSC2=NC=NC3=C2C4=C(S3)CCC4)C(=O)OC

DOS

IR

Vibrations