Geometry & MOs

Info

ID:	299129
PubChem CID:	117672160
Reduced:	O2N6C11H18 (1)
Stoich.:	A2B6C11D18 (1)
Weight, g/mol:	387.127359
ΔH_f, kcal/mol:	-55.34
Dipole, Da:	5.97
IP(EA), eV:	-9.15(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1S,2S)-2-[(2-chloro-5-cyanopyrimidin-4-yl)amino]-3,3-difluorocyclohexyl]carbamate

Drug info:

PubChemData

Smile

CNC1=NC(=NC=C1C(=O)N)NC2CCOCC2N

DOS

IR

Vibrations