Geometry & MOs

Info

ID:	264135
PubChem CID:	103431838
Reduced:	ClSN3C14H16 (1)
Stoich.:	ABC3D14E16 (1)
Weight, g/mol:	294.092832
ΔH_f, kcal/mol:	44.04
Dipole, Da:	1.52
IP(EA), eV:	-8.64(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-(2,6-difluoro-3-nitrophenyl)-4-methylpyrimidin-5-yl]ethanamine

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1[C@@H](C)N)CSC2=CC=CC=C2Cl

DOS

IR

Vibrations