Geometry & MOs

Info

ID:	427201
PubChem CID:	135156088
Reduced:	ClSN4O4C23H25 (1)
Stoich.:	ABC4D4E23F25 (1)
Weight, g/mol:	374.121275
ΔH_f, kcal/mol:	-152.11
Dipole, Da:	4.77
IP(EA), eV:	-9.0(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-8-(6-tert-butyl-5-fluoropyridin-3-yl)-3-(hydroxymethyl)-6-oxo-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazine-7-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1Cl)NC(=O)NCC2=C3CN(C(=O)C3=CS2)[C@@H]4CCC(=O)NC4=O)C(C)C

DOS

IR

Vibrations