Geometry & MOs

Info

ID:	59860
PubChem CID:	24900426
Reduced:	SN3O3C27H31 (1)
Stoich.:	AB3C3D27E31 (1)
Weight, g/mol:	555.332174
ΔH_f, kcal/mol:	-79.57
Dipole, Da:	5.19
IP(EA), eV:	-8.61(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-7-[4-[[4-[4-[[(1R)-1-phenylethyl]amino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methyl]piperazin-1-yl]heptanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCNCC2=CC=CC(=C2)CCNC[C@@H](C3=C4C(=C(C=C3)O)NC(=O)S4)O

DOS

IR

Vibrations