Geometry & MOs

Info

ID:	442993
PubChem CID:	135257332
Reduced:	O2N5C17H27 (1)
Stoich.:	A2B5C17D27 (1)
Weight, g/mol:	445.145157
ΔH_f, kcal/mol:	-75.6
Dipole, Da:	3.4
IP(EA), eV:	-8.28(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4S)-8-[7-(2-amino-3-chloropyridin-4-yl)sulfanylpyrazolo[1,5-a]pyrazin-4-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine

Drug info:

PubChemData

Smile

CC1(CCN(CC1)C2=NC=CN=C2/C=C\N)NC(=O)OC(C)(C)C

DOS

IR

Vibrations