Geometry & MOs

Info

ID:	148117
PubChem CID:	53787779
Reduced:	NO5C10H21 (1)
Stoich.:	AB5C10D21 (1)
Weight, g/mol:	483.215806
ΔH_f, kcal/mol:	-222.8
Dipole, Da:	1.19
IP(EA), eV:	-9.62(0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[(3,5-dimethylbenzoyl)amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CCCCNOC[C@@]1([C@H]([C@@H]([C@@H](O1)C)O)O)O

DOS

IR

Vibrations