Geometry & MOs

Info

ID:	47163
PubChem CID:	10530081
Reduced:	NCl2O3C30H31 (1)
Stoich.:	AB2C3D30E31 (1)
Weight, g/mol:	525.287257
ΔH_f, kcal/mol:	-68.71
Dipole, Da:	3.36
IP(EA), eV:	-9.03(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfonyl-N,N-dipentylbutanamide

Drug info:

PubChemData

Smile

CC(CN(C)CCC(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)/C(=C/C3=C(C(=CC=C3)Cl)Cl)/C(=O)C

DOS

IR

Vibrations