Geometry & MOs

Info

ID:	442655
PubChem CID:	135253649
Reduced:	PF3N5O7C32H45 (1)
Stoich.:	AB3C5D7E32F45 (1)
Weight, g/mol:	302.06376
ΔH_f, kcal/mol:	-437.75
Dipole, Da:	3.73
IP(EA), eV:	-9.0(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-(8-fluoro-2,3-dihydropyrano[3,2-b]pyridin-4-ylidene)amino]pyridine-2-carbothioamide

Drug info:

PubChemData

Smile

CC(C)N(C(C)C)P(OCCC#N)OCCOC(=O)C(CCCCNC(=O)C(F)(F)F)NC(=O)C(CC1=CC=CC=C1)NC(=O)CC#C

DOS

IR

Vibrations