Geometry & MOs

Info

ID:	187167
PubChem CID:	77537901
Reduced:	SN3O3C25H37 (1)
Stoich.:	AB3C3D25E37 (1)
Weight, g/mol:	504.233247
ΔH_f, kcal/mol:	-84.75
Dipole, Da:	5.71
IP(EA), eV:	-8.7(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(4,5-dihydro-1H-imidazol-2-ylamino)-3-(piperidine-1-carbonyloxy)propanoyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid

Drug info:

PubChemData

Smile

CCCN(C)CCCCOC1CCC2C(C1)C(NN2)S(=O)(=O)C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations