Geometry & MOs

Info

ID:	312482
PubChem CID:	126605675
Reduced:	ClFOSN8C22H22 (1)
Stoich.:	ABCDE8F22G22 (1)
Weight, g/mol:	309.205242
ΔH_f, kcal/mol:	68.53
Dipole, Da:	4.68
IP(EA), eV:	-8.95(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-(3-cyanoazetidine-1-carbonyl)-2-methylpentan-3-yl]carbamate

Drug info:

PubChemData

Smile

C[C@H](CN1CC(C1)C#N)NC(=O)C2=CN(C3=NC=C(N=C23)C(=N)C4=C(C=C(C=C4)Cl)NC)SF

DOS

IR

Vibrations