Geometry & MOs

Info

ID:	339177
PubChem CID:	127260556
Reduced:	BrP2N5C10O10H14 (1)
Stoich.:	AB2C5D10E10F14 (1)
Weight, g/mol:	303.194677
ΔH_f, kcal/mol:	-505.13
Dipole, Da:	1.0
IP(EA), eV:	-9.63(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(1-amino-2-methyl-1-oxopropan-2-yl)-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)NBr

DOS

IR

Vibrations