Geometry & MOs

Info

ID:	432501
PubChem CID:	135172634
Reduced:	O2N5C22H27 (1)
Stoich.:	A2B5C22D27 (1)
Weight, g/mol:	394.211724
ΔH_f, kcal/mol:	-31.27
Dipole, Da:	4.48
IP(EA), eV:	-8.22(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-3-[2-[[(1S)-1-[4-(methylamino)phenyl]ethyl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)[C@H](C)NC2=NC3=C(C(=N2)N4[C@H](COC4=O)C(C)C)NC=C3

DOS

IR

Vibrations