Geometry & MOs

Info

ID:	178789
PubChem CID:	76382310
Reduced:	ClNS2O5H16C21 (1)
Stoich.:	ABC2D5E16F21 (1)
Weight, g/mol:	598.351906
ΔH_f, kcal/mol:	-95.71
Dipole, Da:	4.69
IP(EA), eV:	-9.18(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-cyclohexyl-1-[[3-methyl-1-oxo-1-[4-(2-phenylphenyl)piperidin-1-yl]pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(O)OC(=O)C1=C(SC2N1C(=O)C2)OC3=CC=C(C=C3)C(=S)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations