Geometry & MOs

Info

ID:	144517
PubChem CID:	53380179
Reduced:	SN2O3C26H28 (1)
Stoich.:	AB2C3D26E28 (1)
Weight, g/mol:	462.299476
ΔH_f, kcal/mol:	-70.3
Dipole, Da:	3.77
IP(EA), eV:	-9.16(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-pyridin-3-yl-1-(2,5,8-trimethyl-3,4-dihydro-1H-pyrido[4,3-b]indol-4-yl)propan-2-yl] 2-amino-4-methylpentanoate

Drug info:

PubChemData

Smile

C1CN(CCC1(CC2=CC=C(C=C2)C3=CC=CC=C3)C(=O)O)C(=O)[C@H](CC4=CC=CS4)N

DOS

IR

Vibrations