Geometry & MOs

Info

ID:	15690
PubChem CID:	447396
Reduced:	IN2O4C23H27 (1)
Stoich.:	AB2C4D23E27 (1)
Weight, g/mol:	522.10155
ΔH_f, kcal/mol:	-129.82
Dipole, Da:	4.79
IP(EA), eV:	-9.08(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[[(2S)-1-(4-hydroxyphenyl)-3-oxopropan-2-yl]amino]-3-(4-iodophenyl)-1-oxopropan-2-yl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)CC(=O)N[C@@H](CC1=CC=C(C=C1)I)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C=O

DOS

IR

Vibrations