Geometry & MOs

Info

ID:	191159
PubChem CID:	78113078
Reduced:	Cl2N3O5C26H29 (1)
Stoich.:	A2B3C5D26E29 (1)
Weight, g/mol:	559.164076
ΔH_f, kcal/mol:	-167.76
Dipole, Da:	5.82
IP(EA), eV:	-8.74(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(3-cyclohexyl-5-methyl-4H-1,2-oxazole-5-carbonyl)amino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate

Drug info:

PubChemData

Smile

CC1(CC(=NO1)C(C)(C)C)C(=O)NC(CC2=CC=C(C=C2)NC(=O)C3=C(C=CC=C3Cl)Cl)C(=O)OC

DOS

IR

Vibrations