Geometry & MOs

Info

ID:	67167
PubChem CID:	46505995
Reduced:	N2O3C24H34 (1)
Stoich.:	A2B3C24D34 (1)
Weight, g/mol:	511.341007
ΔH_f, kcal/mol:	-150.22
Dipole, Da:	4.84
IP(EA), eV:	-8.7(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[2-[(4-hexylcyclohexanecarbonyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

CCCCCCC1CCC(CC1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O

DOS

IR

Vibrations