Geometry & MOs

Info

ID:	214562
PubChem CID:	85083198
Reduced:	O4N5C31H43 (1)
Stoich.:	A4B5C31D43 (1)
Weight, g/mol:	549.254895
ΔH_f, kcal/mol:	-169.81
Dipole, Da:	4.91
IP(EA), eV:	-9.21(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-methyl-2-propan-2-ylcyclohexyl) 3-(2-amino-5-phenoxyphenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoate

Drug info:

PubChemData

Smile

CCCCCNC(=O)CN1CC(=O)NC(C1=O)CC2=CC=C(C=C2)C3=CC=CC(=C3)CN(CCCC)C(=O)NC

DOS

IR

Vibrations