Geometry & MOs

Info

ID:	46683
PubChem CID:	10526229
Reduced:	ClNH24C29 (1)
Stoich.:	ABC24D29 (1)
Weight, g/mol:	422.216535
ΔH_f, kcal/mol:	107.6
Dipole, Da:	1.12
IP(EA), eV:	-9.06(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-3-[[(2S)-1-[3-(4-aminobutylamino)propylamino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl]oxirane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=C(C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3CN=C(C4=CC=CC=C4)Cl

DOS

IR

Vibrations