Geometry & MOs

Info

ID:	177805
PubChem CID:	76232954
Reduced:	N5O5C24H35 (1)
Stoich.:	A5B5C24D35 (1)
Weight, g/mol:	457.130757
ΔH_f, kcal/mol:	-210.02
Dipole, Da:	3.59
IP(EA), eV:	-9.58(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]prop-2-enoylamino]-4-methyl-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)CN1C(C(C(=O)NC1=O)N(CCCOC)C(=O)C2=CC=C(C=C2)CN3CCCC3=O)N

DOS

IR

Vibrations