Geometry & MOs

Info

ID:	46077
PubChem CID:	10521222
Reduced:	ClNSO3C16H20 (1)
Stoich.:	ABCD3E16F20 (1)
Weight, g/mol:	342.226705
ΔH_f, kcal/mol:	-124.37
Dipole, Da:	6.59
IP(EA), eV:	-8.89(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-[4-azidobutyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-methylpentanoate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)OC(=O)C1=C2C(=CC(=C1)Cl)N(CCCS2)C

DOS

IR

Vibrations