Geometry & MOs

Info

ID:	46893
PubChem CID:	10528174
Reduced:	SO2N3C27H35 (1)
Stoich.:	AB2C3D27E35 (1)
Weight, g/mol:	466.217597
ΔH_f, kcal/mol:	-69.78
Dipole, Da:	6.36
IP(EA), eV:	-8.09(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-5-[[amino(nitramido)methylidene]amino]-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]pentanoic acid

Drug info:

PubChemData

Smile

CCCC[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)NC1=CC2=CC3=CC=CC=C3C=C2C=C1

DOS

IR

Vibrations