Geometry & MOs

Info

ID:

191158

PubChem CID:

78112962

Reduced:

Cl2N3O7H29C30 (1)

Stoich.:

A2B3C7D29E30 (1)

Weight, g/mol:

533.148426

ΔHf, kcal/mol:

-194.1

Dipole, Da:

4.93

IP(EA), eV:

 -8.47(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CC(=NO1)C2=CC(=C(C=C2)OC)OC)C(=O)NC(CC3=CC=C(C=C3)NC(=O)C4=C(C=CC=C4Cl)Cl)C(=O)OC

DOS

IR

Vibrations