Geometry & MOs

Info

ID:	43339
PubChem CID:	10321152
Reduced:	O2C14H21 (2)
Stoich.:	A2B14C21 (2)
Weight, g/mol:	442.319543
ΔH_f, kcal/mol:	-172.97
Dipole, Da:	9.56
IP(EA), eV:	-8.82(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(hexadecanoylamino)-3-(1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CC[C@H](C)[C@H]([C@H](C)C(=O)[C@H](C)/C=C(\C)/C=C/CC/C=C(/CC)\C=C\[C@H]1CC=CC(=O)O1)O

DOS

IR

Vibrations