Geometry & MOs

Info

ID:	378456
PubChem CID:	134224538
Reduced:	O2N3C22H37 (1)
Stoich.:	A2B3C22D37 (1)
Weight, g/mol:	365.13734
ΔH_f, kcal/mol:	-100.52
Dipole, Da:	2.55
IP(EA), eV:	-8.23(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2,6-difluoro-4-[(1S)-2-methylcycloheptyl]oxyphenyl]sulfanylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCCN(CCN(C)C1=C(C=CC=N1)C(=O)OC(C)C)CC2CCCCC2

DOS

IR

Vibrations