Geometry & MOs

Info

ID:	390977
PubChem CID:	135001968
Reduced:	N3O7C22H33 (1)
Stoich.:	A3B7C22D33 (1)
Weight, g/mol:	317.195071
ΔH_f, kcal/mol:	-329.91
Dipole, Da:	1.08
IP(EA), eV:	-9.59(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-[[(2R)-2-aminopropanoyl]amino]-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)N[C@H](CCCNC(=O)OC(C)(C)C)C(=O)OC)NC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations