Geometry & MOs

Info

ID:	43305
PubChem CID:	10321073
Reduced:	FO2N9C20H24 (1)
Stoich.:	AB2C9D20E24 (1)
Weight, g/mol:	441.237604
ΔH_f, kcal/mol:	-2.59
Dipole, Da:	4.49
IP(EA), eV:	-8.2(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]amino]propanoyl]amino]-N-(2-amino-2-oxoethyl)-3-phenylpropanamide

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1O)C2=NC=NC(=C2)N3C(=NC(=N3)NC4=C(C=C(C=C4)N5CCOCC5)F)N

DOS

IR

Vibrations