Geometry & MOs

Info

ID:	182068
PubChem CID:	76836171
Reduced:	YC20H35 (1)
Stoich.:	AB20C35 (1)
Weight, g/mol:	351.161663
ΔH_f, kcal/mol:	-24.19
Dipole, Da:	2.43
IP(EA), eV:	-5.43(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-amino-1-oxo-3-phenylpropan-2-yl)-6-[(2-sulfanylacetyl)amino]hexanamide

Drug info:

PubChemData

Smile

[CH2-]C1CCC(CC1)C2CCC(CC2)CC3CCCCC3.[Y]

DOS

IR

Vibrations