Geometry & MOs

Info

ID:	303572
PubChem CID:	124489917
Reduced:	N2O6C25H32 (1)
Stoich.:	A2B6C25D32 (1)
Weight, g/mol:	332.173607
ΔH_f, kcal/mol:	-219.71
Dipole, Da:	2.32
IP(EA), eV:	-8.01(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-[3-(7-methoxyindol-1-yl)propanoylamino]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

CC[C@@]12C=CCN3[C@H]1[C@@]4(CC3)[C@@H]([C@@]([C@@H]2OC(=O)C)(C(=O)OC)O)N(C5=C4C=CC(=C5)OC)C

DOS

IR

Vibrations