Geometry & MOs

Info

ID:	230668
PubChem CID:	87571605
Reduced:	NSO7C20H29 (1)
Stoich.:	ABC7D20E29 (1)
Weight, g/mol:	370.319543
ΔH_f, kcal/mol:	-261.06
Dipole, Da:	9.29
IP(EA), eV:	-9.6(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-5-(dibutylamino)-4-(2-ethylhexylamino)-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC1C(COC(O1)(C)C(=O)O)CCCCO/N=C(\C)/C2=CC=C(C=C2)S(=O)(=O)C

DOS

IR

Vibrations