Geometry & MOs

Info

ID:	33630
PubChem CID:	7887285
Reduced:	N3O3S3C15H19 (1)
Stoich.:	A3B3C3D15E19 (1)
Weight, g/mol:	350.072513
ΔH_f, kcal/mol:	-89.0
Dipole, Da:	5.14
IP(EA), eV:	-8.97(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl 1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=NC=N2)SCC(=O)N(C)[C@@H]3CCS(=O)(=O)C3)C

DOS

IR

Vibrations