Geometry & MOs

Info

ID:	302384
PubChem CID:	124361542
Reduced:	SN3O6C21H31 (1)
Stoich.:	AB3C6D21E31 (1)
Weight, g/mol:	523.268236
ΔH_f, kcal/mol:	-265.79
Dipole, Da:	11.94
IP(EA), eV:	-9.72(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]piperidine-4-carbonyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N[C@H](CC(C)C)C(=O)N2CCC(CC2)C(=O)NCC(=O)O

DOS

IR

Vibrations