Geometry & MOs

Info

ID:	234744
PubChem CID:	92303422
Reduced:	ON2C9H12 (1)
Stoich.:	AB2C9D12 (1)
Weight, g/mol:	389.156184
ΔH_f, kcal/mol:	-11.73
Dipole, Da:	5.0
IP(EA), eV:	-9.34(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-2-[(7S)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]-3-(2,4,6-trimethylphenyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CC1=C2C[C@@H](CC2=NN1)C(=O)C

DOS

IR

Vibrations