Geometry & MOs

Info

ID:	303557
PubChem CID:	124489901
Reduced:	N3O5C24H25 (1)
Stoich.:	A3B5C24D25 (1)
Weight, g/mol:	318.157957
ΔH_f, kcal/mol:	-180.43
Dipole, Da:	2.38
IP(EA), eV:	-9.43(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-[[2-(4-methoxyindol-1-yl)acetyl]amino]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC=CC=C2N3[C@@]1(CCC3=O)C(=O)NC4=CC=C(C=C4)C(=O)OC(C)C

DOS

IR

Vibrations