Geometry & MOs

Info

ID:	238911
PubChem CID:	93165716
Reduced:	N2O4C17H22 (1)
Stoich.:	A2B4C17D22 (1)
Weight, g/mol:	318.194343
ΔH_f, kcal/mol:	-168.98
Dipole, Da:	6.11
IP(EA), eV:	-9.15(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-methyl-2-[[(2S)-2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propanoyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

CC[C@H](C)[C@H](C(=O)O)NC(=O)[C@@H]1CC(=O)N(C1)C2=CC=CC=C2

DOS

IR

Vibrations