Geometry & MOs

Info

ID:	146201
PubChem CID:	53650006
Reduced:	C4N5H9 (2)
Stoich.:	A4B5C9 (2)
Weight, g/mol:	426.215472
ΔH_f, kcal/mol:	93.55
Dipole, Da:	7.22
IP(EA), eV:	-9.18(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[2-methylpropanoyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]-3-(4-phenylphenyl)propanoic acid

Drug info:

PubChemData

Smile

C(CN=C(N)NC(=NCCN=C(N)NC#N)N)N

DOS

IR

Vibrations