Geometry & MOs

Info

ID:	449030
PubChem CID:	135295377
Reduced:	SO2N7H23C24 (1)
Stoich.:	AB2C7D23E24 (1)
Weight, g/mol:	363.115381
ΔH_f, kcal/mol:	47.4
Dipole, Da:	5.2
IP(EA), eV:	-8.94(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-(2-oxo-1-pyrrolidin-1-ylethenyl)pyridin-2-yl]amino]-3a,7a-dihydro-1,3-benzothiazole-6-carbonitrile

Drug info:

PubChemData

Smile

C[C@H]1CN(CCN1C2=CC(=NC=C2)NC3=NC4=C(S3)N=C(C=C4)C5=CC=NC=C5)C(=O)C(=O)C

DOS

IR

Vibrations