Geometry & MOs

Info

ID:	432835
PubChem CID:	135172972
Reduced:	ON10C26H28 (1)
Stoich.:	AB10C26D28 (1)
Weight, g/mol:	402.251858
ΔH_f, kcal/mol:	174.11
Dipole, Da:	9.02
IP(EA), eV:	-7.98(-2.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[[(2R,3R)-3-methoxy-2-methyl-3-[(2S)-4-methylidenepyrrolidin-2-yl]propanoyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CN=CC3=N/C(=C\4/C5=CC(=NC=C5NN4)C6=CC(=CN=C6)NC(C7CC7)O)/N=C23

DOS

IR

Vibrations