Geometry & MOs

Info

ID:	388938
PubChem CID:	134990657
Reduced:	ISiO5C28H47 (1)
Stoich.:	ABC5D28E47 (1)
Weight, g/mol:	202.142976
ΔH_f, kcal/mol:	-266.98
Dipole, Da:	1.94
IP(EA), eV:	-8.91(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-7-(diaminomethylideneamino)-3-hydroxyheptanamide

Drug info:

PubChemData

Smile

C[C@@H](C=O)[C@H](C[C@@H]([C@@H]1C[C@H](OC1)CI)OCC2=CC=C(C=C2)OC)O[Si](C(C)C)(C(C)C)C(C)C

DOS

IR

Vibrations