Geometry & MOs

Info

ID:	313206
PubChem CID:	126612585
Reduced:	N5C28H41 (1)
Stoich.:	A5B28C41 (1)
Weight, g/mol:	257.081871
ΔH_f, kcal/mol:	62.54
Dipole, Da:	2.74
IP(EA), eV:	-8.46(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4R)-4-(chloroamino)-5-(4-hydroxyphenyl)-2-methylpentanoic acid

Drug info:

PubChemData

Smile

CCCCNCC1=CC=C(C=C1)C2=NC(=C(C=C2)/C(=C\CCNC)/N3CCCC(C3)C)N=C

DOS

IR

Vibrations