Geometry & MOs

Info

ID:	82963
PubChem CID:	49856893
Reduced:	NO4C9H19 (1)
Stoich.:	AB4C9D19 (1)
Weight, g/mol:	569.321334
ΔH_f, kcal/mol:	-194.74
Dipole, Da:	1.64
IP(EA), eV:	-9.75(1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-benzyl-N-[5-[[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-(methoxymethoxy)ethyl]amino]-3-propan-2-ylpyrazolo[1,5-a]pyrimidin-7-yl]carbamate

Drug info:

PubChemData

Smile

CC1(OC[C@@H](O1)[C@H](COCOC)N)C

DOS

IR

Vibrations